4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one

C15H17ClN2O — CID 136769809

IUPAC4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(C)c(Cl)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H17ClN2O/c1-4-5-13-17-14(10(3)15(19)18-13)11-7-6-9(2)12(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyCRWCZRSUYBQSPT-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.66
Rot. Bonds3

About 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one

4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one (PubChem CID 136769809) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
PubChem CID136769809
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(C)c(Cl)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H17ClN2O/c1-4-5-13-17-14(10(3)15(19)18-13)11-7-6-9(2)12(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyCRWCZRSUYBQSPT-UHFFFAOYSA-N
XLogP3.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769485
2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136769785
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955503
4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
CID 136955760
4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136770031
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708
5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868432
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
CID 113324741
5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868484

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one (CID 136769809) is 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2ccc(C)c(Cl)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is CRWCZRSUYBQSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-5-13-17-14(10(3)15(19)18-13)11-7-6-9(2)12(16)8-11/h6-8H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one has a molecular weight of 276.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).