2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide

C25H24N4O2 — CID 53131615

IUPAC2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)c1
InChIInChI=1S/C25H24N4O2/c1-16-8-9-17(2)21(12-16)27-22(30)14-28-13-20(18-6-4-3-5-7-18)23-24(28)25(31)29(15-26-23)19-10-11-19/h3-9,12-13,15,19H,10-11,14H2,1-2H3,(H,27,30)
InChIKeyFGCLRRQKBMEVAS-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.46
Rot. Bonds5

About 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide

2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 53131615) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID53131615
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)c1
InChIInChI=1S/C25H24N4O2/c1-16-8-9-17(2)21(12-16)27-22(30)14-28-13-20(18-6-4-3-5-7-18)23-24(28)25(31)29(15-26-23)19-10-11-19/h3-9,12-13,15,19H,10-11,14H2,1-2H3,(H,27,30)
InChIKeyFGCLRRQKBMEVAS-UHFFFAOYSA-N
XLogP4.46
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.46
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
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 53131628
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-(5-fluoro-2-methylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849624
N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 995141
N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131744
2-(3-butyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 53002923
N-(2,5-dimethylphenyl)-2-[3-(2-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46358070
N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
CID 50844589
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 121117049
N-(2,5-dimethylphenyl)-2-(5-ethyl-4-oxopyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395562

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide (CID 53131615) is 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)c1.
What is the InChIKey of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is FGCLRRQKBMEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-8-9-17(2)21(12-16)27-22(30)14-28-13-20(18-6-4-3-5-7-18)23-24(28)25(31)29(15-26-23)19-10-11-19/h3-9,12-13,15,19H,10-11,14H2,1-2H3,(H,27,30).
What are the key properties of 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide?
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 53131615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).