2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine

C15H11Cl2N3O2 — CID 135181348

IUPAC2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)cc(-c2cc3c(Cl)nc(Cl)nc3cn2)c1
InChIInChI=1S/C15H11Cl2N3O2/c1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(17)20-14(11)16/h3-7H,1-2H3
InChIKeyKQUBPQCOGIDGAO-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.02
Rot. Bonds3

About 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine

2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine (PubChem CID 135181348) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
PubChem CID135181348
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)cc(-c2cc3c(Cl)nc(Cl)nc3cn2)c1
InChIInChI=1S/C15H11Cl2N3O2/c1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(17)20-14(11)16/h3-7H,1-2H3
InChIKeyKQUBPQCOGIDGAO-UHFFFAOYSA-N
XLogP4.02
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[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 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine (CID 135181348) is 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine is COc1cc(OC)cc(-c2cc3c(Cl)nc(Cl)nc3cn2)c1.
What is the InChIKey of 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The InChIKey is KQUBPQCOGIDGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-21-9-3-8(4-10(5-9)22-2)12-6-11-13(7-18-12)19-15(17)20-14(11)16/h3-7H,1-2H3.
What are the key properties of 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine has a molecular weight of 336.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 135181348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).