(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

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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).