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

C14H14F2N2O — CID 136769942

IUPAC4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(F)c(-c2cc(=O)[nH]c(C(C)C)n2)c1F
InChIInChI=1S/C14H14F2N2O/c1-7(2)14-17-10(6-11(19)18-14)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H,17,18,19)
InChIKeySXZSWSOOYTWTLI-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.15
Rot. Bonds2

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

4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136769942) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136769942
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(F)c(-c2cc(=O)[nH]c(C(C)C)n2)c1F
InChIInChI=1S/C14H14F2N2O/c1-7(2)14-17-10(6-11(19)18-14)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H,17,18,19)
InChIKeySXZSWSOOYTWTLI-UHFFFAOYSA-N
XLogP3.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,6-difluoro-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-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
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-(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
4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769330
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769281
4-(3-bromo-2,6-difluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136767104
4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883191
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802815
4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 135530342

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136769942) is 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1ccc(F)c(-c2cc(=O)[nH]c(C(C)C)n2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SXZSWSOOYTWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-7(2)14-17-10(6-11(19)18-14)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).