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

C25H19N3O3 — CID 137226350

IUPAC6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(Cc2nc3[nH]c(C(=O)c4ccccc4)c(-c4ccccc4)c3c(=O)[nH]2)o1
InChIInChI=1S/C25H19N3O3/c1-15-12-13-18(31-15)14-19-26-24-21(25(30)27-19)20(16-8-4-2-5-9-16)22(28-24)23(29)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H2,26,27,28,30)
InChIKeyLJERUVBCZQRMLO-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.64
Rot. Bonds5

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

6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137226350) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137226350
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(Cc2nc3[nH]c(C(=O)c4ccccc4)c(-c4ccccc4)c3c(=O)[nH]2)o1
InChIInChI=1S/C25H19N3O3/c1-15-12-13-18(31-15)14-19-26-24-21(25(30)27-19)20(16-8-4-2-5-9-16)22(28-24)23(29)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H2,26,27,28,30)
InChIKeyLJERUVBCZQRMLO-UHFFFAOYSA-N
XLogP4.64
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzoyl-2-heptadecyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137243514
methyl 2-benzyl-4-oxo-3,9-dihydropyrimido[4,5-b]indole-7-carboxylate
CID 136953102
3-benzoyl-6-methylpyran-2-one
CID 86099445
[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364755
6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 54698093
2-benzoyl-3-phenyl-1H-quinolin-4-one
CID 132534400
methyl 2-benzyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2101791
[8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135367992
2-benzyl-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 27166756
[4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone
CID 73294487
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 18283575
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 4807520

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137226350) is 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1ccc(Cc2nc3[nH]c(C(=O)c4ccccc4)c(-c4ccccc4)c3c(=O)[nH]2)o1.
What is the InChIKey of 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is LJERUVBCZQRMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-15-12-13-18(31-15)14-19-26-24-21(25(30)27-19)20(16-8-4-2-5-9-16)22(28-24)23(29)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H2,26,27,28,30).
What are the key properties of 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 409.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-[(5-methylfuran-2-yl)methyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137226350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).