8CK

N-(4-fluorophenyl)-4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine

Created:	2021-12-03
Last modified:	2022-03-02

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1 entries where 8CK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	53
Aromatic Bond Count	18

2D diagram of 8CK

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Chemical Component Summary
Name	N-(4-fluorophenyl)-4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine
Synonyms	R-revaprazan
Systematic Name (OpenEye OEToolkits)	~{N}-(4-fluorophenyl)-4,5-dimethyl-6-[(1~{R})-1-methyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]pyrimidin-2-amine
Formula	C₂₂ H₂₃ F N₄
Molecular Weight	362.443
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]1N(CCc2ccccc12)c3nc(Nc4ccc(F)cc4)nc(C)c3C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc(nc1N2CCc3ccccc3C2C)Nc4ccc(cc4)F)C
Canonical SMILES	CACTVS	3.385	C[C@H]1N(CCc2ccccc12)c3nc(Nc4ccc(F)cc4)nc(C)c3C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc4)F)C
InChI	InChI	1.03	InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)/t16-/m1/s1
InChIKey	InChI	1.03	LECZXZOBEZITCL-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	40462255

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