4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile

C8H7F3N4 — CID 116646992

IUPAC4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile
SMILESCc1nc(CC(F)(F)F)nc(N)c1C#N
InChIInChI=1S/C8H7F3N4/c1-4-5(3-12)7(13)15-6(14-4)2-8(9,10)11/h2H2,1H3,(H2,13,14,15)
InChIKeyBXIIFYJEJMZQEZ-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.34
Rot. Bonds1

About 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile

4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile (PubChem CID 116646992) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile
PubChem CID116646992
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile
SMILESCc1nc(CC(F)(F)F)nc(N)c1C#N
InChIInChI=1S/C8H7F3N4/c1-4-5(3-12)7(13)15-6(14-4)2-8(9,10)11/h2H2,1H3,(H2,13,14,15)
InChIKeyBXIIFYJEJMZQEZ-UHFFFAOYSA-N
XLogP1.34
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)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-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile (CID 116646992) is 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile is Cc1nc(CC(F)(F)F)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile?
The InChIKey is BXIIFYJEJMZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-4-5(3-12)7(13)15-6(14-4)2-8(9,10)11/h2H2,1H3,(H2,13,14,15).
What are the key properties of 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile?
4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile has a molecular weight of 216.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116646992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).