8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine

C20H23N3O3S — CID 118022605

IUPAC8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(C2=CN(C)Cc3cncnc32)c1
InChIInChI=1S/C20H23N3O3S/c1-3-27(24,25)16-6-7-19(26-12-14-4-5-14)17(8-16)18-11-23(2)10-15-9-21-13-22-20(15)18/h6-9,11,13-14H,3-5,10,12H2,1-2H3
InChIKeyAZLSHHFILBUNHQ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.89
Rot. Bonds6

About 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine

8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine (PubChem CID 118022605) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine
PubChem CID118022605
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(C2=CN(C)Cc3cncnc32)c1
InChIInChI=1S/C20H23N3O3S/c1-3-27(24,25)16-6-7-19(26-12-14-4-5-14)17(8-16)18-11-23(2)10-15-9-21-13-22-20(15)18/h6-9,11,13-14H,3-5,10,12H2,1-2H3
InChIKeyAZLSHHFILBUNHQ-UHFFFAOYSA-N
XLogP2.89
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-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 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine (CID 118022605) is 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine is CCS(=O)(=O)c1ccc(OCC2CC2)c(C2=CN(C)Cc3cncnc32)c1.
What is the InChIKey of 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AZLSHHFILBUNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-27(24,25)16-6-7-19(26-12-14-4-5-14)17(8-16)18-11-23(2)10-15-9-21-13-22-20(15)18/h6-9,11,13-14H,3-5,10,12H2,1-2H3.
What are the key properties of 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine?
8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 385.49 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-6-methyl-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 118022605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).