2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one

C14H12F4N2O — CID 136965468

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-c2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12F4N2O/c1-2-3-11-7-12(21)20-13(19-11)8-4-9(14(16,17)18)6-10(15)5-8/h4-7H,2-3H2,1H3,(H,19,20,21)
InChIKeyDLORGHZLAAXKCI-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.55
Rot. Bonds3

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one

2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 136965468) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID136965468
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-c2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12F4N2O/c1-2-3-11-7-12(21)20-13(19-11)8-4-9(14(16,17)18)6-10(15)5-8/h4-7H,2-3H2,1H3,(H,19,20,21)
InChIKeyDLORGHZLAAXKCI-UHFFFAOYSA-N
XLogP3.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-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-fluoro-3-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 135985118
2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136889657
2-(3,4-dihydroxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136938589
6-Propyl-2-selenouracil
CID 135412657
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
2-amino-4-propyl-1H-pyrimidin-6-one;azane
CID 167462255
ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 168908312
2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
CID 135973670
2-(3-fluorophenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978440
2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one
CID 136715409

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one (CID 136965468) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(-c2cc(F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is DLORGHZLAAXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-2-3-11-7-12(21)20-13(19-11)8-4-9(14(16,17)18)6-10(15)5-8/h4-7H,2-3H2,1H3,(H,19,20,21).
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 300.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136965468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).