2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C16H25N3O3 — CID 136670243

IUPAC2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCCO[C@H]1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1
InChIInChI=1S/C16H25N3O3/c1-4-8-22-13-6-5-7-19(10-13)15(20)9-14-11(2)17-12(3)18-16(14)21/h13H,4-10H2,1-3H3,(H,17,18,21)/t13-/m0/s1
InChIKeyKLYNIIMJKOZRFB-ZDUSSCGKSA-N
MW307.39 g/mol
LogP1.35
Rot. Bonds5

About 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136670243) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136670243
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCCO[C@H]1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1
InChIInChI=1S/C16H25N3O3/c1-4-8-22-13-6-5-7-19(10-13)15(20)9-14-11(2)17-12(3)18-16(14)21/h13H,4-10H2,1-3H3,(H,17,18,21)/t13-/m0/s1
InChIKeyKLYNIIMJKOZRFB-ZDUSSCGKSA-N
XLogP1.35
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136911228
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
2,4-dimethyl-5-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 135881334
2,4-dimethyl-5-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136764566
2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 137092367
5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136988459
2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136693380
N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 137214476
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 136670243) is 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one is CCCO[C@H]1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1.
What is the InChIKey of 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is KLYNIIMJKOZRFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-8-22-13-6-5-7-19(10-13)15(20)9-14-11(2)17-12(3)18-16(14)21/h13H,4-10H2,1-3H3,(H,17,18,21)/t13-/m0/s1.
What are the key properties of 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 307.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136670243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).