6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine

C13H10Cl2F3N3 — CID 63729895

IUPAC6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C13H10Cl2F3N3/c1-6-11(15)19-7(2)20-12(6)21-10-4-3-8(5-9(10)14)13(16,17)18/h3-5H,1-2H3,(H,19,20,21)
InChIKeyGVDIQCKUYOKCIA-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.16
Rot. Bonds2

About 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine

6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine (PubChem CID 63729895) has the molecular formula C13H10Cl2F3N3 and a molecular weight of 336.14 g/mol. Its IUPAC name is 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
PubChem CID63729895
Molecular FormulaC13H10Cl2F3N3
Molecular Weight336.14 g/mol
Exact Mass335.02
IUPAC Name6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C13H10Cl2F3N3/c1-6-11(15)19-7(2)20-12(6)21-10-4-3-8(5-9(10)14)13(16,17)18/h3-5H,1-2H3,(H,19,20,21)
InChIKeyGVDIQCKUYOKCIA-UHFFFAOYSA-N
XLogP5.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.14
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-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

6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-methyl-5-prop-2-enylpyrimidin-4-amine
CID 87843307
N-(4-bromo-2-chlorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63729411
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
CID 79727796
2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80833737

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine (CID 63729895) is 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(Nc2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine?
The InChIKey is GVDIQCKUYOKCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3/c1-6-11(15)19-7(2)20-12(6)21-10-4-3-8(5-9(10)14)13(16,17)18/h3-5H,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine has a molecular weight of 336.14 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63729895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).