2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C12H9ClF3N3 — CID 62476740

IUPAC2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H9ClF3N3/c1-7-6-10(19-11(13)17-7)18-9-5-3-2-4-8(9)12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyVKRUTQQRBUABKP-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.20
Rot. Bonds2

About 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 62476740) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID62476740
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H9ClF3N3/c1-7-6-10(19-11(13)17-7)18-9-5-3-2-4-8(9)12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyVKRUTQQRBUABKP-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-chlorophenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112929807
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
2-(azepan-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112926722
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112927359
2-N-(2,4-difluorophenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931279
2-N-(4-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930727
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829
2-N-(3-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930615
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 62476740) is 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1cc(Nc2ccccc2C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is VKRUTQQRBUABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c1-7-6-10(19-11(13)17-7)18-9-5-3-2-4-8(9)12(14,15)16/h2-6H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 287.67 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62476740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).