5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one

C20H17N5OS — CID 11523666

IUPAC5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one
SMILESCSc1ccc(-n2c(-c3ccccc3)nc3nc(C)nc(N)c3c2=O)cc1
InChIInChI=1S/C20H17N5OS/c1-12-22-17(21)16-18(23-12)24-19(13-6-4-3-5-7-13)25(20(16)26)14-8-10-15(27-2)11-9-14/h3-11H,1-2H3,(H2,21,22,23)
InChIKeyRRZAADJTIXNLJH-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.46
Rot. Bonds3

About 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one

5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one (PubChem CID 11523666) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one
PubChem CID11523666
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one
SMILESCSc1ccc(-n2c(-c3ccccc3)nc3nc(C)nc(N)c3c2=O)cc1
InChIInChI=1S/C20H17N5OS/c1-12-22-17(21)16-18(23-12)24-19(13-6-4-3-5-7-13)25(20(16)26)14-8-10-15(27-2)11-9-14/h3-11H,1-2H3,(H2,21,22,23)
InChIKeyRRZAADJTIXNLJH-UHFFFAOYSA-N
XLogP3.46
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one 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 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one?
The IUPAC name of 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one (CID 11523666) is 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one is CSc1ccc(-n2c(-c3ccccc3)nc3nc(C)nc(N)c3c2=O)cc1.
What is the InChIKey of 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one?
The InChIKey is RRZAADJTIXNLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-22-17(21)16-18(23-12)24-19(13-6-4-3-5-7-13)25(20(16)26)14-8-10-15(27-2)11-9-14/h3-11H,1-2H3,(H2,21,22,23).
What are the key properties of 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one?
5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one has a molecular weight of 375.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one is sourced from PubChem (CID 11523666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).