4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine

C13H11ClF3N3 — CID 163243350

IUPAC4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cccc(C)c1-c1nc(N)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3/c1-6-4-3-5-7(2)8(6)10-9(13(15,16)17)11(14)20-12(18)19-10/h3-5H,1-2H3,(H2,18,19,20)
InChIKeyKAGVNYZOOFLTRW-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.01
Rot. Bonds1

About 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine

4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 163243350) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID163243350
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cccc(C)c1-c1nc(N)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3/c1-6-4-3-5-7(2)8(6)10-9(13(15,16)17)11(14)20-12(18)19-10/h3-5H,1-2H3,(H2,18,19,20)
InChIKeyKAGVNYZOOFLTRW-UHFFFAOYSA-N
XLogP4.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
5-(4-Chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
CID 23423608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 163243350) is 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine is Cc1cccc(C)c1-c1nc(N)nc(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KAGVNYZOOFLTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c1-6-4-3-5-7(2)8(6)10-9(13(15,16)17)11(14)20-12(18)19-10/h3-5H,1-2H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine?
4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 301.70 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 163243350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).