5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine

C9H6F3N3 — CID 45490283

IUPAC5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine
SMILESCc1nccc2ncnc(C(F)(F)F)c12
InChIInChI=1S/C9H6F3N3/c1-5-7-6(2-3-13-5)14-4-15-8(7)9(10,11)12/h2-4H,1H3
InChIKeyDROGRDVPHOMWHY-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.35
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine

5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine (PubChem CID 45490283) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine
PubChem CID45490283
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine
SMILESCc1nccc2ncnc(C(F)(F)F)c12
InChIInChI=1S/C9H6F3N3/c1-5-7-6(2-3-13-5)14-4-15-8(7)9(10,11)12/h2-4H,1H3
InChIKeyDROGRDVPHOMWHY-UHFFFAOYSA-N
XLogP2.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine 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 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine (CID 45490283) is 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine is Cc1nccc2ncnc(C(F)(F)F)c12.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The InChIKey is DROGRDVPHOMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c1-5-7-6(2-3-13-5)14-4-15-8(7)9(10,11)12/h2-4H,1H3.
What are the key properties of 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine has a molecular weight of 213.16 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 45490283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).