2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one

C15H18N2O — CID 136955548

IUPAC2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(C)C)cc2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-9(2)12-5-7-13(8-6-12)14-10(3)15(18)17-11(4)16-14/h5-9H,1-4H3,(H,16,17,18)
InChIKeyUTZJESMRXFQYEQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.18
Rot. Bonds2

About 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one

2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one (PubChem CID 136955548) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
PubChem CID136955548
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(C)C)cc2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-9(2)12-5-7-13(8-6-12)14-10(3)15(18)17-11(4)16-14/h5-9H,1-4H3,(H,16,17,18)
InChIKeyUTZJESMRXFQYEQ-UHFFFAOYSA-N
XLogP3.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955503
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136769320
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863
4-(4-chlorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139921187
2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136692837
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 136890119
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one (CID 136955548) is 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one is Cc1nc(-c2ccc(C(C)C)cc2)c(C)c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one?
The InChIKey is UTZJESMRXFQYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9(2)12-5-7-13(8-6-12)14-10(3)15(18)17-11(4)16-14/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one?
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).