2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile

C18H19N7O2 — CID 90218239

IUPAC2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile
SMILESCOc1ncccc1Nc1ncc2[nH]c(=O)n(C3CCCCC3C#N)c2n1
InChIInChI=1S/C18H19N7O2/c1-27-16-12(6-4-8-20-16)22-17-21-10-13-15(24-17)25(18(26)23-13)14-7-3-2-5-11(14)9-19/h4,6,8,10-11,14H,2-3,5,7H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyGMCXAAMVJLYVDQ-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.52
Rot. Bonds4

About 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile

2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile (PubChem CID 90218239) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile
PubChem CID90218239
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile
SMILESCOc1ncccc1Nc1ncc2[nH]c(=O)n(C3CCCCC3C#N)c2n1
InChIInChI=1S/C18H19N7O2/c1-27-16-12(6-4-8-20-16)22-17-21-10-13-15(24-17)25(18(26)23-13)14-7-3-2-5-11(14)9-19/h4,6,8,10-11,14H,2-3,5,7H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyGMCXAAMVJLYVDQ-UHFFFAOYSA-N
XLogP2.52
TPSA121.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one
CID 141352684
9-[(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]-2-[(2-methoxy-3-pyridinyl)amino]-7H-purin-8-one
CID 90218331
2-[[5-(difluoromethyl)-2-methoxy-3-pyridinyl]amino]-9-(oxan-4-yl)-7H-purin-8-one
CID 71062086
2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one
CID 71062050
2-[(2-methoxy-3-pyridinyl)amino]-9-[(1S,2R)-2-methylcyclohexyl]-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 90218569
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
9-[(1R,3S)-3-hydroxycyclohexyl]-2-[(2-oxo-1H-pyridin-3-yl)amino]-7H-purin-8-one
CID 71061374
2-N-(2-methoxy-3-pyridinyl)-4-N-[4-(methylsulfonylmethyl)cyclohexyl]pyrimidine-2,4,5-triamine
CID 71062992
3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 71246113
2-N-(2-methoxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 71246669
[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate
CID 140653841
1-[8-oxo-2-[(2-oxo-1H-pyridin-3-yl)amino]-7H-purin-9-yl]cyclohexane-1-carbonitrile
CID 123299577

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile (CID 90218239) is 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile is COc1ncccc1Nc1ncc2[nH]c(=O)n(C3CCCCC3C#N)c2n1.
What is the InChIKey of 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile?
The InChIKey is GMCXAAMVJLYVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-27-16-12(6-4-8-20-16)22-17-21-10-13-15(24-17)25(18(26)23-13)14-7-3-2-5-11(14)9-19/h4,6,8,10-11,14H,2-3,5,7H2,1H3,(H,23,26)(H,21,22,24).
What are the key properties of 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile?
2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile has a molecular weight of 365.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 90218239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).