2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O — CID 136779728

IUPAC2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CC(C)CN(c2nc(C(C)C)cc(=O)[nH]2)C1
InChIInChI=1S/C14H23N3O/c1-9(2)12-6-13(18)16-14(15-12)17-7-10(3)5-11(4)8-17/h6,9-11H,5,7-8H2,1-4H3,(H,15,16,18)
InChIKeyAHBFBQNFCZXBPW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.38
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one

2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136779728) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136779728
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CC(C)CN(c2nc(C(C)C)cc(=O)[nH]2)C1
InChIInChI=1S/C14H23N3O/c1-9(2)12-6-13(18)16-14(15-12)17-7-10(3)5-11(4)8-17/h6,9-11H,5,7-8H2,1-4H3,(H,15,16,18)
InChIKeyAHBFBQNFCZXBPW-UHFFFAOYSA-N
XLogP2.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
CID 136571241
4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135602314
2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137013272
2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 135973672
(2S)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135557037
N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide
CID 136641332
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416104
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135674880
4-(difluoromethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride
CID 155941200
4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973398
4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one
CID 166036192

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136779728) is 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one is CC1CC(C)CN(c2nc(C(C)C)cc(=O)[nH]2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AHBFBQNFCZXBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)12-6-13(18)16-14(15-12)17-7-10(3)5-11(4)8-17/h6,9-11H,5,7-8H2,1-4H3,(H,15,16,18).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).