4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H15FN2O — CID 136955436

IUPAC4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(-c2cc(=O)[nH]c(C(C)C)n2)ccc1F
InChIInChI=1S/C14H15FN2O/c1-8(2)14-16-12(7-13(18)17-14)10-4-5-11(15)9(3)6-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyCKEXUSNQZNTXPX-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.01
Rot. Bonds2

About 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136955436) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136955436
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(-c2cc(=O)[nH]c(C(C)C)n2)ccc1F
InChIInChI=1S/C14H15FN2O/c1-8(2)14-16-12(7-13(18)17-14)10-4-5-11(15)9(3)6-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyCKEXUSNQZNTXPX-UHFFFAOYSA-N
XLogP3.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769942
4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802815
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769751
4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769330
4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883191
6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515067
2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
CID 95479005
2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 136741276
4-(2-chloro-4-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955703
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-(4-fluoro-3-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 135985118

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136955436) is 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(-c2cc(=O)[nH]c(C(C)C)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CKEXUSNQZNTXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8(2)14-16-12(7-13(18)17-14)10-4-5-11(15)9(3)6-10/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 246.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).