2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C12H12N4O — CID 135432076

IUPAC2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(c1ccccc1)C2
InChIInChI=1S/C12H12N4O/c13-12-14-10-7-16(6-9(10)11(17)15-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,13,14,15,17)
InChIKeyQRAGRBGCQQOIHM-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.87
Rot. Bonds1

About 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 135432076) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID135432076
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(c1ccccc1)C2
InChIInChI=1S/C12H12N4O/c13-12-14-10-7-16(6-9(10)11(17)15-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,13,14,15,17)
InChIKeyQRAGRBGCQQOIHM-UHFFFAOYSA-N
XLogP0.87
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[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

Related Compounds

2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 166354761
2-benzyl-6-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136813207
2-amino-6-[(4-phenoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920066
2-amino-6-[(2,4-dihydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916973
2-amino-7-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990874
2-amino-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917253
2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861200
2-amino-6-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919807
2-[[5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl]isoindole-1,3-dione
CID 135943785
6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 167811145
2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136606582
5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
CID 135861440

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 135432076) is 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(c1ccccc1)C2.
What is the InChIKey of 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is QRAGRBGCQQOIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-12-14-10-7-16(6-9(10)11(17)15-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,13,14,15,17).
What are the key properties of 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 228.26 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135432076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).