6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine

C19H18FN3O2 — CID 135181116

IUPAC6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(C2CC2)c(-c2cc3cnc(C)nc3cn2)c1F
InChIInChI=1S/C19H18FN3O2/c1-10-21-8-12-6-13(22-9-14(12)23-10)18-17(11-4-5-11)15(24-2)7-16(25-3)19(18)20/h6-9,11H,4-5H2,1-3H3
InChIKeyOVUDOCUCGLWWAY-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.03
Rot. Bonds4

About 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine

6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine (PubChem CID 135181116) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine
PubChem CID135181116
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(C2CC2)c(-c2cc3cnc(C)nc3cn2)c1F
InChIInChI=1S/C19H18FN3O2/c1-10-21-8-12-6-13(22-9-14(12)23-10)18-17(11-4-5-11)15(24-2)7-16(25-3)19(18)20/h6-9,11H,4-5H2,1-3H3
InChIKeyOVUDOCUCGLWWAY-UHFFFAOYSA-N
XLogP4.03
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-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 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine (CID 135181116) is 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine is COc1cc(OC)c(C2CC2)c(-c2cc3cnc(C)nc3cn2)c1F.
What is the InChIKey of 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine?
The InChIKey is OVUDOCUCGLWWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-10-21-8-12-6-13(22-9-14(12)23-10)18-17(11-4-5-11)15(24-2)7-16(25-3)19(18)20/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine?
6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 135181116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).