4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile

C6H3F3N4 — CID 12864086

IUPAC4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)nc1N
InChIInChI=1S/C6H3F3N4/c7-6(8,9)5-12-2-3(1-10)4(11)13-5/h2H,(H2,11,12,13)
InChIKeyRRFXQMOBTKMHNK-UHFFFAOYSA-N
MW188.11 g/mol
LogP0.95
Rot. Bonds

About 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile

4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile (PubChem CID 12864086) has the molecular formula C6H3F3N4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile
PubChem CID12864086
Molecular FormulaC6H3F3N4
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Name4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)nc1N
InChIInChI=1S/C6H3F3N4/c7-6(8,9)5-12-2-3(1-10)4(11)13-5/h2H,(H2,11,12,13)
InChIKeyRRFXQMOBTKMHNK-UHFFFAOYSA-N
XLogP0.95
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile 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-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile (CID 12864086) is 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile is N#Cc1cnc(C(F)(F)F)nc1N.
What is the InChIKey of 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile?
The InChIKey is RRFXQMOBTKMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4/c7-6(8,9)5-12-2-3(1-10)4(11)13-5/h2H,(H2,11,12,13).
What are the key properties of 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile?
4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 12864086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).