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

C18H20N2O — CID 136770175

IUPAC4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(C3CCC3)cc2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C18H20N2O/c1-11-16(19-17(15-9-10-15)20-18(11)21)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15H,2-4,9-10H2,1H3,(H,19,20,21)
InChIKeyLQHIAKGZLPSSCO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.89
Rot. Bonds3

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

4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136770175) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136770175
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(C3CCC3)cc2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C18H20N2O/c1-11-16(19-17(15-9-10-15)20-18(11)21)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15H,2-4,9-10H2,1H3,(H,19,20,21)
InChIKeyLQHIAKGZLPSSCO-UHFFFAOYSA-N
XLogP3.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 136692901
2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692169
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692688
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692866
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136764448
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
2-tert-butyl-4-(4-cyclobutylphenyl)-1H-pyrimidin-6-one
CID 136770161

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one (CID 136770175) is 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2ccc(C3CCC3)cc2)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is LQHIAKGZLPSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-16(19-17(15-9-10-15)20-18(11)21)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15H,2-4,9-10H2,1H3,(H,19,20,21).
What are the key properties of 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one?
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).