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

C12H8Cl2F3N3 — CID 112694892

IUPAC2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C(F)(F)F)nc(Cl)n2)c(Cl)c1
InChIInChI=1S/C12H8Cl2F3N3/c1-6-2-3-8(7(13)4-6)18-10-5-9(12(15,16)17)19-11(14)20-10/h2-5H,1H3,(H,18,19,20)
InChIKeyARQCSKCYDSMDHD-UHFFFAOYSA-N
MW322.12 g/mol
LogP4.85
Rot. Bonds2

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

2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 112694892) has the molecular formula C12H8Cl2F3N3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID112694892
Molecular FormulaC12H8Cl2F3N3
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C(F)(F)F)nc(Cl)n2)c(Cl)c1
InChIInChI=1S/C12H8Cl2F3N3/c1-6-2-3-8(7(13)4-6)18-10-5-9(12(15,16)17)19-11(14)20-10/h2-5H,1H3,(H,18,19,20)
InChIKeyARQCSKCYDSMDHD-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649814
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-(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
4-bromo-2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 107800091
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62477629
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
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-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 112694892) is 2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(Nc2cc(C(F)(F)F)nc(Cl)n2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ARQCSKCYDSMDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3/c1-6-2-3-8(7(13)4-6)18-10-5-9(12(15,16)17)19-11(14)20-10/h2-5H,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 322.12 g/mol, XLogP of 4.85, 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-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 112694892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).