6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine

C22H17Cl2N3O2S — CID 135180283

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(-c3ccccc3)n2)c1Cl
InChIInChI=1S/C22H17Cl2N3O2S/c1-28-15-10-16(29-2)19(24)17(18(15)23)14-9-13-11-25-22(30-3)27-21(13)20(26-14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyKOSSCHAQYLJMPW-UHFFFAOYSA-N
MW458.37 g/mol
LogP6.40
Rot. Bonds5

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine (PubChem CID 135180283) has the molecular formula C22H17Cl2N3O2S and a molecular weight of 458.37 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine
PubChem CID135180283
Molecular FormulaC22H17Cl2N3O2S
Molecular Weight458.37 g/mol
Exact Mass457.04
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(-c3ccccc3)n2)c1Cl
InChIInChI=1S/C22H17Cl2N3O2S/c1-28-15-10-16(29-2)19(24)17(18(15)23)14-9-13-11-25-22(30-3)27-21(13)20(26-14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyKOSSCHAQYLJMPW-UHFFFAOYSA-N
XLogP6.40
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.37
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[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-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine (CID 135180283) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine is COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(-c3ccccc3)n2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine?
The InChIKey is KOSSCHAQYLJMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2S/c1-28-15-10-16(29-2)19(24)17(18(15)23)14-9-13-11-25-22(30-3)27-21(13)20(26-14)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine has a molecular weight of 458.37 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 135180283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).