4-chloro-6-(trifluoromethyl)pyrimidin-2-amine

C5H3ClF3N3 — CID 13086907

IUPAC4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12)
InChIKeyZLIUVGFJXHOHLN-UHFFFAOYSA-N
MW197.55 g/mol
LogP1.73
Rot. Bonds

About 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine

4-chloro-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 13086907) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID13086907
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12)
InChIKeyZLIUVGFJXHOHLN-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine (CID 13086907) is 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZLIUVGFJXHOHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12).
What are the key properties of 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine?
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 197.55 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 13086907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).