2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one

C14H14ClFN2O — CID 135971314

IUPAC2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(Cl)c(F)c2)[nH]c(=O)c1C(C)C
InChIInChI=1S/C14H14ClFN2O/c1-7(2)12-8(3)17-13(18-14(12)19)9-4-5-10(15)11(16)6-9/h4-7H,1-3H3,(H,17,18,19)
InChIKeyAMTIUGVFXAZBMB-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.66
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one

2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135971314) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135971314
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(Cl)c(F)c2)[nH]c(=O)c1C(C)C
InChIInChI=1S/C14H14ClFN2O/c1-7(2)12-8(3)17-13(18-14(12)19)9-4-5-10(15)11(16)6-9/h4-7H,1-3H3,(H,17,18,19)
InChIKeyAMTIUGVFXAZBMB-UHFFFAOYSA-N
XLogP3.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-fluorophenyl)-4-methyl-5-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

2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
CID 761950
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
5-butyl-2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135418965
3-(4-Chlorophenyl)-6-methyl-1,2,4-triazin-5-ol
CID 135472873
2-(4-Fluorophenyl)-6-methylpyrimidin-4(1H)-one
CID 135629608
2-(4-Chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4(3H)-one
CID 135418913
2-(3-chloro-4-fluorophenyl)-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135473108
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136228074
6-Benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
2-[2-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 172437684
5-Allyl-6-methyl-2-phenylpyrimidin-4-ol
CID 135411368

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 135971314) is 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(Cl)c(F)c2)[nH]c(=O)c1C(C)C.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AMTIUGVFXAZBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-7(2)12-8(3)17-13(18-14(12)19)9-4-5-10(15)11(16)6-9/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 280.73 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135971314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).