2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H7ClF5N3 — CID 114562821

IUPAC2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(F)c(Nc2cc(C(F)(F)F)nc(Cl)n2)c1F
InChIInChI=1S/C12H7ClF5N3/c1-5-2-3-6(14)10(9(5)15)20-8-4-7(12(16,17)18)19-11(13)21-8/h2-4H,1H3,(H,19,20,21)
InChIKeySPISWHBKCAWWFT-UHFFFAOYSA-N
MW323.65 g/mol
LogP4.48
Rot. Bonds2

About 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562821) has the molecular formula C12H7ClF5N3 and a molecular weight of 323.65 g/mol. Its IUPAC name is 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562821
Molecular FormulaC12H7ClF5N3
Molecular Weight323.65 g/mol
Exact Mass323.02
IUPAC Name2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(F)c(Nc2cc(C(F)(F)F)nc(Cl)n2)c1F
InChIInChI=1S/C12H7ClF5N3/c1-5-2-3-6(14)10(9(5)15)20-8-4-7(12(16,17)18)19-11(13)21-8/h2-4H,1H3,(H,19,20,21)
InChIKeySPISWHBKCAWWFT-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649814
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694906
N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694870
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-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 82820207
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562635
2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82819504
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562821) is 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(F)c(Nc2cc(C(F)(F)F)nc(Cl)n2)c1F.
What is the InChIKey of 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SPISWHBKCAWWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF5N3/c1-5-2-3-6(14)10(9(5)15)20-8-4-7(12(16,17)18)19-11(13)21-8/h2-4H,1H3,(H,19,20,21).
What are the key properties of 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 323.65 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).