2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one

C20H30N4O2 — CID 136881815

IUPAC2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
SMILESO=C1CC(c2cc(=O)[nH]c(N3CCCCCC3)n2)CN1C1CCCCC1
InChIInChI=1S/C20H30N4O2/c25-18-13-17(21-20(22-18)23-10-6-1-2-7-11-23)15-12-19(26)24(14-15)16-8-4-3-5-9-16/h13,15-16H,1-12,14H2,(H,21,22,25)
InChIKeyVNWZDGOPXLJGPY-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.80
Rot. Bonds3

About 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one

2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136881815) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
PubChem CID136881815
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
SMILESO=C1CC(c2cc(=O)[nH]c(N3CCCCCC3)n2)CN1C1CCCCC1
InChIInChI=1S/C20H30N4O2/c25-18-13-17(21-20(22-18)23-10-6-1-2-7-11-23)15-12-19(26)24(14-15)16-8-4-3-5-9-16/h13,15-16H,1-12,14H2,(H,21,22,25)
InChIKeyVNWZDGOPXLJGPY-UHFFFAOYSA-N
XLogP2.80
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
4-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136860896
2-(azepan-1-yl)-4-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136869579
2-(azepan-1-yl)-4-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881801
4-[(3R)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[(3-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136850355
4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 137248018
4-[(3R)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[methyl(2-phenylethyl)amino]-1H-pyrimidin-6-one
CID 136869344
4-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136681420
4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136765877
4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136821065
4-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136673804
4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 30033455

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one (CID 136881815) is 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one is O=C1CC(c2cc(=O)[nH]c(N3CCCCCC3)n2)CN1C1CCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is VNWZDGOPXLJGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-18-13-17(21-20(22-18)23-10-6-1-2-7-11-23)15-12-19(26)24(14-15)16-8-4-3-5-9-16/h13,15-16H,1-12,14H2,(H,21,22,25).
What are the key properties of 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one?
2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 358.49 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136881815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).