2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C14H10ClF3N2O — CID 167011605

IUPAC2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC/C=C/c1c(C(F)(F)F)nc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C14H10ClF3N2O/c1-2-3-10-11(14(16,17)18)19-12(20-13(10)21)8-4-6-9(15)7-5-8/h2-7H,1H3,(H,19,20,21)/b3-2+
InChIKeyQLVPJDBNEIGYMN-NSCUHMNNSA-N
MW314.69 g/mol
LogP4.14
Rot. Bonds2

About 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 167011605) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID167011605
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC/C=C/c1c(C(F)(F)F)nc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C14H10ClF3N2O/c1-2-3-10-11(14(16,17)18)19-12(20-13(10)21)8-4-6-9(15)7-5-8/h2-7H,1H3,(H,19,20,21)/b3-2+
InChIKeyQLVPJDBNEIGYMN-NSCUHMNNSA-N
XLogP4.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 167011605) is 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is C/C=C/c1c(C(F)(F)F)nc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is QLVPJDBNEIGYMN-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c1-2-3-10-11(14(16,17)18)19-12(20-13(10)21)8-4-6-9(15)7-5-8/h2-7H,1H3,(H,19,20,21)/b3-2+.
What are the key properties of 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 314.69 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167011605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).