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

C24H24N4O2 — CID 53131727

IUPACN-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1
InChIInChI=1S/C24H24N4O2/c1-16(2)28-15-25-22-20(18-9-5-4-6-10-18)13-27(23(22)24(28)30)14-21(29)26-19-11-7-8-17(3)12-19/h4-13,15-16H,14H2,1-3H3,(H,26,29)
InChIKeyWIDSORBPJQKQFO-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.39
Rot. Bonds5

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

N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide (PubChem CID 53131727) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
PubChem CID53131727
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1
InChIInChI=1S/C24H24N4O2/c1-16(2)28-15-25-22-20(18-9-5-4-6-10-18)13-27(23(22)24(28)30)14-21(29)26-19-11-7-8-17(3)12-19/h4-13,15-16H,14H2,1-3H3,(H,26,29)
InChIKeyWIDSORBPJQKQFO-UHFFFAOYSA-N
XLogP4.39
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 53131611
N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131744
2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
CID 53011903
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide
CID 53131615
2-(3-butyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 53002923
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 53131628
N-(4-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131691
2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 46507886
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 66310621

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide (CID 53131727) is N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide is Cc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
The InChIKey is WIDSORBPJQKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16(2)28-15-25-22-20(18-9-5-4-6-10-18)13-27(23(22)24(28)30)14-21(29)26-19-11-7-8-17(3)12-19/h4-13,15-16H,14H2,1-3H3,(H,26,29).
What are the key properties of N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide?
N-(3-methylphenyl)-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 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 53131727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).