2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

C12H17N3O2 — CID 110856155

IUPAC2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC(C)C2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8-4-3-5-15(7-8)12(17)10-6-13-9(2)14-11(10)16/h6,8H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyXZPWFDRLJIBEJN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.95
Rot. Bonds1

About 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110856155) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110856155
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC(C)C2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-8-4-3-5-15(7-8)12(17)10-6-13-9(2)14-11(10)16/h6,8H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyXZPWFDRLJIBEJN-UHFFFAOYSA-N
XLogP0.95
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6,7,8,9-tetrahydro-6-methyl-4-oxo-
CID 118083
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13480639
(3S)-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile
CID 124906952
5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 164625667
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]-2-isopropylpyrimidin-4(3H)-one
CID 56742402
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
2,3-Dimethyl-5-(piperidin-1-ylmethyl)pyrimidin-4-one
CID 141822497
4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 154942917
2-Methyl-5-(piperidylmethyl)pyrimidine-4,6-diol
CID 3489834
1-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 13480644
N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 56710793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 110856155) is 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCCC(C)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is XZPWFDRLJIBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-3-5-15(7-8)12(17)10-6-13-9(2)14-11(10)16/h6,8H,3-5,7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110856155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).