2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one

C15H23N3O3 — CID 137092367

IUPAC2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCC[C@H](O)CC2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-3-13-16-10(2)12(15(21)17-13)9-14(20)18-7-4-5-11(19)6-8-18/h11,19H,3-9H2,1-2H3,(H,16,17,21)/t11-/m0/s1
InChIKeyVJRCFBAMQWNRIQ-NSHDSACASA-N
MW293.37 g/mol
LogP0.56
Rot. Bonds3

About 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one

2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137092367) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137092367
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCC[C@H](O)CC2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-3-13-16-10(2)12(15(21)17-13)9-14(20)18-7-4-5-11(19)6-8-18/h11,19H,3-9H2,1-2H3,(H,16,17,21)/t11-/m0/s1
InChIKeyVJRCFBAMQWNRIQ-NSHDSACASA-N
XLogP0.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136835264
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyazepan-1-yl)ethanone
CID 131889726
(1S,5R)-7-[2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 163306087
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
acetic acid;(3S,6R)-6-amino-1-[2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]azepane-3-carboxylic acid
CID 171707324
2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 162631231
2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136670243
2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 135420399
5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136911228
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
CID 137225405
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136766353

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one (CID 137092367) is 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one is CCc1nc(C)c(CC(=O)N2CCC[C@H](O)CC2)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VJRCFBAMQWNRIQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-13-16-10(2)12(15(21)17-13)9-14(20)18-7-4-5-11(19)6-8-18/h11,19H,3-9H2,1-2H3,(H,16,17,21)/t11-/m0/s1.
What are the key properties of 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one?
2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137092367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).