5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one

C19H15N3O — CID 135417395

IUPAC5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1[nH]c(-c2ccccc2)c2nc(-c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C19H15N3O/c1-12-15-17(16(20-12)13-8-4-2-5-9-13)21-18(22-19(15)23)14-10-6-3-7-11-14/h2-11,20H,1H3,(H,21,22,23)
InChIKeyYZTHPWCJXLTWAN-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.89
Rot. Bonds2

About 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one

5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 135417395) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID135417395
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1[nH]c(-c2ccccc2)c2nc(-c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C19H15N3O/c1-12-15-17(16(20-12)13-8-4-2-5-9-13)21-18(22-19(15)23)14-10-6-3-7-11-14/h2-11,20H,1H3,(H,21,22,23)
InChIKeyYZTHPWCJXLTWAN-UHFFFAOYSA-N
XLogP3.89
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-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-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 135417395) is 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1[nH]c(-c2ccccc2)c2nc(-c3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is YZTHPWCJXLTWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-12-15-17(16(20-12)13-8-4-2-5-9-13)21-18(22-19(15)23)14-10-6-3-7-11-14/h2-11,20H,1H3,(H,21,22,23).
What are the key properties of 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one?
5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 301.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135417395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).