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

C18H22N2O — CID 136770174

IUPAC4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(C3CCC3)cc2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C18H22N2O/c1-11(2)17-19-16(12(3)18(21)20-17)15-9-7-14(8-10-15)13-5-4-6-13/h7-11,13H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyOZSLSLQZBNQXJT-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.14
Rot. Bonds3

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

4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136770174) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136770174
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(C3CCC3)cc2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C18H22N2O/c1-11(2)17-19-16(12(3)18(21)20-17)15-9-7-14(8-10-15)13-5-4-6-13/h7-11,13H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyOZSLSLQZBNQXJT-UHFFFAOYSA-N
XLogP4.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863
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
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548
4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
2-tert-butyl-4-(4-cyclobutylphenyl)-1H-pyrimidin-6-one
CID 136770161
5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769733

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136770174) is 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1c(-c2ccc(C3CCC3)cc2)nc(C(C)C)[nH]c1=O.
What is the InChIKey of 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OZSLSLQZBNQXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11(2)17-19-16(12(3)18(21)20-17)15-9-7-14(8-10-15)13-5-4-6-13/h7-11,13H,4-6H2,1-3H3,(H,19,20,21).
What are the key properties of 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 282.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).