2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

C13H11ClF3N3 — CID 115649807

IUPAC2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C13H11ClF3N3/c1-7-3-8(2)5-9(4-7)18-11-6-10(13(15,16)17)19-12(14)20-11/h3-6H,1-2H3,(H,18,19,20)
InChIKeyIDENCNFVNFPFBE-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.51
Rot. Bonds2

About 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 115649807) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID115649807
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C13H11ClF3N3/c1-7-3-8(2)5-9(4-7)18-11-6-10(13(15,16)17)19-12(14)20-11/h3-6H,1-2H3,(H,18,19,20)
InChIKeyIDENCNFVNFPFBE-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 115649807) is 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(C)cc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IDENCNFVNFPFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c1-7-3-8(2)5-9(4-7)18-11-6-10(13(15,16)17)19-12(14)20-11/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.70 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 115649807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).