(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone

C21H19N3O — CID 56743916

IUPAC(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C21H19N3O/c1-2-20-22-12-16-13-24(14-19(16)23-20)21(25)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3
InChIKeyUOCFFXLQEBPPPF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.86
Rot. Bonds3

About (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone

(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone (PubChem CID 56743916) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone
PubChem CID56743916
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C21H19N3O/c1-2-20-22-12-16-13-24(14-19(16)23-20)21(25)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3
InChIKeyUOCFFXLQEBPPPF-UHFFFAOYSA-N
XLogP3.86
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone 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

N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
2-(Pyrimidin-2-yl)isoindoline-1,3-dione
CID 660266
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
Pyrimidine-4-carboxamide, 79
CID 44520953
Pyrimidine-4-carboxamide, 80
CID 44520966
9H-Indeno[2,1-d]pyrimidin-9-one, 2-phenyl-
CID 10244232
2-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
CID 10753672

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone?
The IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone (CID 56743916) is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone.
What is the SMILES notation for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone?
The canonical SMILES for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone is CCc1ncc2c(n1)CN(C(=O)c1ccccc1-c1ccccc1)C2.
What is the InChIKey of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone?
The InChIKey is UOCFFXLQEBPPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-20-22-12-16-13-24(14-19(16)23-20)21(25)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3.
What are the key properties of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone?
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone has a molecular weight of 329.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone is sourced from PubChem (CID 56743916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).