4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

C18H21N3O2 — CID 110332158

IUPAC4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)[nH]c(=O)n2)cc1
InChIInChI=1S/C18H21N3O2/c1-12-3-5-14(6-4-12)15-11-16(20-18(23)19-15)17(22)21-9-7-13(2)8-10-21/h3-6,11,13H,7-10H2,1-2H3,(H,19,20,23)
InChIKeyQBPGULMKMSLJDB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.62
Rot. Bonds2

About 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332158) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332158
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)[nH]c(=O)n2)cc1
InChIInChI=1S/C18H21N3O2/c1-12-3-5-14(6-4-12)15-11-16(20-18(23)19-15)17(22)21-9-7-13(2)8-10-21/h3-6,11,13H,7-10H2,1-2H3,(H,19,20,23)
InChIKeyQBPGULMKMSLJDB-UHFFFAOYSA-N
XLogP2.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295412
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332289
6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
CID 110332074
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
ethyl 4-[4-(4-chlorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332311
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332406
4-[4-(3,4-dimethylphenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carbaldehyde
CID 110332553
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
CID 110332244
ethyl 4-[4-(2,5-dimethylphenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332427
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340316

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332158) is 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is QBPGULMKMSLJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-3-5-14(6-4-12)15-11-16(20-18(23)19-15)17(22)21-9-7-13(2)8-10-21/h3-6,11,13H,7-10H2,1-2H3,(H,19,20,23).
What are the key properties of 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).