5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one

C23H23N3O — CID 95919981

IUPAC5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(-c3ccccc3)cn(Cc3ccccc3)c2c1=O
InChIInChI=1S/C23H23N3O/c1-2-3-14-25-17-24-21-20(19-12-8-5-9-13-19)16-26(22(21)23(25)27)15-18-10-6-4-7-11-18/h4-13,16-17H,2-3,14-15H2,1H3
InChIKeyABOHXRGMDPAGEF-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.71
Rot. Bonds6

About 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one

5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 95919981) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one
PubChem CID95919981
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(-c3ccccc3)cn(Cc3ccccc3)c2c1=O
InChIInChI=1S/C23H23N3O/c1-2-3-14-25-17-24-21-20(19-12-8-5-9-13-19)16-26(22(21)23(25)27)15-18-10-6-4-7-11-18/h4-13,16-17H,2-3,14-15H2,1H3
InChIKeyABOHXRGMDPAGEF-UHFFFAOYSA-N
XLogP4.71
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 53002923
3-benzyl-7-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-one
CID 95920139
1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
CID 3077022
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
CID 95916394
2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
CID 53011903
1-benzyl-7-butyl-3H-purine-2,6-dione
CID 101429168
1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one
CID 10448523
9-benzyl-1-propyl-3H-purine-2,6-dione
CID 102076593
N-(4-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131691
N-(furan-2-ylmethyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131709
N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide
CID 95920144
N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131744

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one (CID 95919981) is 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one is CCCCn1cnc2c(-c3ccccc3)cn(Cc3ccccc3)c2c1=O.
What is the InChIKey of 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ABOHXRGMDPAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-2-3-14-25-17-24-21-20(19-12-8-5-9-13-19)16-26(22(21)23(25)27)15-18-10-6-4-7-11-18/h4-13,16-17H,2-3,14-15H2,1H3.
What are the key properties of 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one?
5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 357.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 95919981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).