4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one

C16H18N2O — CID 136770360

IUPAC4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc(C3CCC3)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C16H18N2O/c1-10-15(17-11(2)18-16(10)19)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12H,3,5-6H2,1-2H3,(H,17,18,19)
InChIKeyFXEYLTOVMNEHJM-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.32
Rot. Bonds2

About 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one

4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136770360) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136770360
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc(C3CCC3)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C16H18N2O/c1-10-15(17-11(2)18-16(10)19)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12H,3,5-6H2,1-2H3,(H,17,18,19)
InChIKeyFXEYLTOVMNEHJM-UHFFFAOYSA-N
XLogP3.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106522502
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
CID 162497484
2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692169
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955503
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
6-(3-cyclobutylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 114607003
6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106522452
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one (CID 136770360) is 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2cccc(C3CCC3)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is FXEYLTOVMNEHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-15(17-11(2)18-16(10)19)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12H,3,5-6H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).