4-methyl-2-(trifluoromethyl)pyrimidin-5-amine

C6H6F3N3 — CID 82374804

IUPAC4-methyl-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCc1nc(C(F)(F)F)ncc1N
InChIInChI=1S/C6H6F3N3/c1-3-4(10)2-11-5(12-3)6(7,8)9/h2H,10H2,1H3
InChIKeyYYQIJSOMSLPCAS-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.39
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine

4-methyl-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 82374804) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID82374804
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name4-methyl-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCc1nc(C(F)(F)F)ncc1N
InChIInChI=1S/C6H6F3N3/c1-3-4(10)2-11-5(12-3)6(7,8)9/h2H,10H2,1H3
InChIKeyYYQIJSOMSLPCAS-UHFFFAOYSA-N
XLogP1.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Trifluoromethyl)pyrimidin-4-amine
CID 22385756
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
5-Amino-4-methylpyrimidine
CID 227541
2-Methylpyrimidin-5-amine
CID 295764
2-(Trifluoromethyl)pyrimidin-5-amine
CID 14290906
2-Chloro-4-methylpyrimidin-5-amine
CID 316282
4-Methyl-2-pyrimidinemethanamine
CID 18727763
(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
2-Methyl-4-(trifluoromethyl)pyrimidine
CID 10103447
4-(Trifluoromethyl)pyrimidine
CID 15074799

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine (CID 82374804) is 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine is Cc1nc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is YYQIJSOMSLPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c1-3-4(10)2-11-5(12-3)6(7,8)9/h2H,10H2,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine?
4-methyl-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 177.13 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 82374804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).