1CY

1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

Created:	2009-08-25
Last modified:	2021-03-01

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7 entries where 1CY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of 1CY

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Chemical Component Summary
Name	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Synonyms	Cycloguanil
Systematic Name (OpenEye OEToolkits)	1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula	C₁₁ H₁₄ Cl N₅
Molecular Weight	251.715
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	Clc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
SMILES	CACTVS	3.352	CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	1.7.0	CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C
Canonical SMILES	CACTVS	3.352	CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C
InChI	InChI	1.03	InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKey	InChI	1.03	QMNFFXRFOJIOKZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB14763
Name	Cycloguanil
Groups	approved
Description	Cycloguanil is the active metabolite of [proguanil].
Synonyms	CGT Cycloguanil Cycloguanil embonate Cycloguanilum Chlorguanide triazine Cycloguanyl
Categories	Amidines Anti-Infective Agents Antimalarials Antiparasitic Agents Antiparasitic Products, Insecticides and Repellents Antiprotozoals Biguanides Enzyme Inhibitors Folic Acid Antagonists Guanidines
ATC-Code	P01BB02
CAS number	516-21-2

Related Resource References

Resource Name	Reference
Pharos	CHEMBL747
PubChem	9049
ChEMBL	CHEMBL747
ChEBI	CHEBI:135029
CCDC/CSD	CYGUAN02, CYGUAN01, CYGUAN

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.