2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine

C12H8Cl2F3N3 — CID 116700654

IUPAC2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)cc(C(F)(F)F)c2)nc(Cl)n1
InChIInChI=1S/C12H8Cl2F3N3/c1-6-2-10(20-11(14)18-6)19-9-4-7(12(15,16)17)3-8(13)5-9/h2-5H,1H3,(H,18,19,20)
InChIKeyLTBRDZSMZLMWJN-UHFFFAOYSA-N
MW322.12 g/mol
LogP4.85
Rot. Bonds2

About 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine

2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine (PubChem CID 116700654) has the molecular formula C12H8Cl2F3N3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine
PubChem CID116700654
Molecular FormulaC12H8Cl2F3N3
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)cc(C(F)(F)F)c2)nc(Cl)n1
InChIInChI=1S/C12H8Cl2F3N3/c1-6-2-10(20-11(14)18-6)19-9-4-7(12(15,16)17)3-8(13)5-9/h2-5H,1H3,(H,18,19,20)
InChIKeyLTBRDZSMZLMWJN-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-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
2-[3-chloro-5-(trifluoromethyl)anilino]-6-methylpyrimidine-4-carbonitrile
CID 107545343
6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 116700995
4-N-[3-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 116701008
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
2,6-dichloro-N-(3,5-dichlorophenyl)pyrimidin-4-amine
CID 10380610
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine (CID 116700654) is 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine is Cc1cc(Nc2cc(Cl)cc(C(F)(F)F)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine?
The InChIKey is LTBRDZSMZLMWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3/c1-6-2-10(20-11(14)18-6)19-9-4-7(12(15,16)17)3-8(13)5-9/h2-5H,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine?
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-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-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116700654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).