2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H8ClF4N3 — CID 115649814

IUPAC2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(F)ccc1Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H8ClF4N3/c1-6-4-7(14)2-3-8(6)18-10-5-9(12(15,16)17)19-11(13)20-10/h2-5H,1H3,(H,18,19,20)
InChIKeyYVSRLJHEHSQYLB-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.34
Rot. Bonds2

About 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 115649814) has the molecular formula C12H8ClF4N3 and a molecular weight of 305.66 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID115649814
Molecular FormulaC12H8ClF4N3
Molecular Weight305.66 g/mol
Exact Mass305.03
IUPAC Name2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(F)ccc1Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H8ClF4N3/c1-6-4-7(14)2-3-8(6)18-10-5-9(12(15,16)17)19-11(13)20-10/h2-5H,1H3,(H,18,19,20)
InChIKeyYVSRLJHEHSQYLB-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine 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-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694892
N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562802
2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562821
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107531763
N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694870
6-chloro-N-(4-fluoro-2-methylphenyl)pyridin-2-amine
CID 63588779
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62477629
4-N-(2,4-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563686
2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694906
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 115649814) is 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(F)ccc1Nc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YVSRLJHEHSQYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4N3/c1-6-4-7(14)2-3-8(6)18-10-5-9(12(15,16)17)19-11(13)20-10/h2-5H,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 305.66 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 115649814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).