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

C20H15N3O2 — CID 136951107

IUPAC6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C20H15N3O2/c1-12-21-19-16(20(25)22-12)15(13-8-4-2-5-9-13)17(23-19)18(24)14-10-6-3-7-11-14/h2-11H,1H3,(H2,21,22,23,25)
InChIKeyJAQDZDAZCCSBAX-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.46
Rot. Bonds3

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

6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 136951107) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID136951107
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C20H15N3O2/c1-12-21-19-16(20(25)22-12)15(13-8-4-2-5-9-13)17(23-19)18(24)14-10-6-3-7-11-14/h2-11H,1H3,(H2,21,22,23,25)
InChIKeyJAQDZDAZCCSBAX-UHFFFAOYSA-N
XLogP3.46
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzoyl-2-[3-(methylsulfanyl)propyl]-5-phenyl-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137226418
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
4-acetyl-3,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-pyrrole-2-carboxamide
CID 5009129
6-Benzoyl-2-pent-4-ynyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136053645
6-Benzoyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136219305
6-Benzoyl-5-(3,5-dibromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136219307
6-Benzoyl-5-(3-chlorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136239337
3-(6-Benzoyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
CID 136239470
6-(4-Bromobenzoyl)-5-(3,5-dibromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136239471
6-Benzoyl-5-(3-bromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136244483
5-(3,5-Dibromophenyl)-6-(4-fluorobenzoyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136244484

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 136951107) is 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1nc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is JAQDZDAZCCSBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-12-21-19-16(20(25)22-12)15(13-8-4-2-5-9-13)17(23-19)18(24)14-10-6-3-7-11-14/h2-11H,1H3,(H2,21,22,23,25).
What are the key properties of 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136951107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).