5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one

C17H22N2O — CID 136770243

IUPAC5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
SMILESCCCc1cccc(-c2nc(C(C)C)[nH]c(=O)c2C)c1
InChIInChI=1S/C17H22N2O/c1-5-7-13-8-6-9-14(10-13)15-12(4)17(20)19-16(18-15)11(2)3/h6,8-11H,5,7H2,1-4H3,(H,18,19,20)
InChIKeySZQAIHYNBDRHPK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.82
Rot. Bonds4

About 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one

5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one (PubChem CID 136770243) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
PubChem CID136770243
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
SMILESCCCc1cccc(-c2nc(C(C)C)[nH]c(=O)c2C)c1
InChIInChI=1S/C17H22N2O/c1-5-7-13-8-6-9-14(10-13)15-12(4)17(20)19-16(18-15)11(2)3/h6,8-11H,5,7H2,1-4H3,(H,18,19,20)
InChIKeySZQAIHYNBDRHPK-UHFFFAOYSA-N
XLogP3.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770297
4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691706
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136930656
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
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one (CID 136770243) is 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one is CCCc1cccc(-c2nc(C(C)C)[nH]c(=O)c2C)c1.
What is the InChIKey of 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one?
The InChIKey is SZQAIHYNBDRHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-7-13-8-6-9-14(10-13)15-12(4)17(20)19-16(18-15)11(2)3/h6,8-11H,5,7H2,1-4H3,(H,18,19,20).
What are the key properties of 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one?
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one has a molecular weight of 270.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).