6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine

C19H20ClN3O2S — CID 135181366

IUPAC6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2c(C)c(OC)cc(OC)c2Cl)cc2cnc(SC)nc12
InChIInChI=1S/C19H20ClN3O2S/c1-6-12-18-11(9-21-19(23-18)26-5)7-13(22-12)16-10(2)14(24-3)8-15(25-4)17(16)20/h7-9H,6H2,1-5H3
InChIKeyPEUKTCZECDNIAI-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.96
Rot. Bonds5

About 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine

6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine (PubChem CID 135181366) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine
PubChem CID135181366
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2c(C)c(OC)cc(OC)c2Cl)cc2cnc(SC)nc12
InChIInChI=1S/C19H20ClN3O2S/c1-6-12-18-11(9-21-19(23-18)26-5)7-13(22-12)16-10(2)14(24-3)8-15(25-4)17(16)20/h7-9H,6H2,1-5H3
InChIKeyPEUKTCZECDNIAI-UHFFFAOYSA-N
XLogP4.96
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[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-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine?
The IUPAC name of 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine (CID 135181366) is 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine is CCc1nc(-c2c(C)c(OC)cc(OC)c2Cl)cc2cnc(SC)nc12.
What is the InChIKey of 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine?
The InChIKey is PEUKTCZECDNIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-6-12-18-11(9-21-19(23-18)26-5)7-13(22-12)16-10(2)14(24-3)8-15(25-4)17(16)20/h7-9H,6H2,1-5H3.
What are the key properties of 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine?
6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine has a molecular weight of 389.91 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 135181366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).