N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide

C24H24N4O2 — CID 53131744

IUPACN-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccccc3)c2c1=O
InChIInChI=1S/C24H24N4O2/c1-17(2)28-16-26-22-20(19-11-7-4-8-12-19)14-27(23(22)24(28)30)15-21(29)25-13-18-9-5-3-6-10-18/h3-12,14,16-17H,13,15H2,1-2H3,(H,25,29)
InChIKeyVFOSWHQFTKZXQK-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.76
Rot. Bonds6

About N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide

N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide (PubChem CID 53131744) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
PubChem CID53131744
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccccc3)c2c1=O
InChIInChI=1S/C24H24N4O2/c1-17(2)28-16-26-22-20(19-11-7-4-8-12-19)14-27(23(22)24(28)30)15-21(29)25-13-18-9-5-3-6-10-18/h3-12,14,16-17H,13,15H2,1-2H3,(H,25,29)
InChIKeyVFOSWHQFTKZXQK-UHFFFAOYSA-N
XLogP3.76
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131727
2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
CID 53011903
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)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 30850055
N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66309191
2-(3-butyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 53002923
2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide
CID 50836886
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51363753
N-benzyl-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284279
N-benzyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7672416
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 53131611
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
CID 95916394

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide (CID 53131744) is N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide is CC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccccc3)c2c1=O.
What is the InChIKey of N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The InChIKey is VFOSWHQFTKZXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17(2)28-16-26-22-20(19-11-7-4-8-12-19)14-27(23(22)24(28)30)15-21(29)25-13-18-9-5-3-6-10-18/h3-12,14,16-17H,13,15H2,1-2H3,(H,25,29).
What are the key properties of N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 53131744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).