9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine

C11H9F3N8 — CID 11722897

IUPAC9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(N)n1
InChIInChI=1S/C11H9F3N8/c1-16-7-6-8(21-9(20-7)11(12,13)14)22(4-18-6)5-2-3-17-10(15)19-5/h2-4H,1H3,(H2,15,17,19)(H,16,20,21)
InChIKeyJDXPAPAFHNGWCK-UHFFFAOYSA-N
MW310.24 g/mol
LogP1.25
Rot. Bonds2

About 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine

9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 11722897) has the molecular formula C11H9F3N8 and a molecular weight of 310.24 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
PubChem CID11722897
Molecular FormulaC11H9F3N8
Molecular Weight310.24 g/mol
Exact Mass310.09
IUPAC Name9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(N)n1
InChIInChI=1S/C11H9F3N8/c1-16-7-6-8(21-9(20-7)11(12,13)14)22(4-18-6)5-2-3-17-10(15)19-5/h2-4H,1H3,(H2,15,17,19)(H,16,20,21)
InChIKeyJDXPAPAFHNGWCK-UHFFFAOYSA-N
XLogP1.25
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-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 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine (CID 11722897) is 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine is CNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(N)n1.
What is the InChIKey of 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is JDXPAPAFHNGWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N8/c1-16-7-6-8(21-9(20-7)11(12,13)14)22(4-18-6)5-2-3-17-10(15)19-5/h2-4H,1H3,(H2,15,17,19)(H,16,20,21).
What are the key properties of 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 310.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 11722897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).