2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide

C20H17N5O2 — CID 15462531

IUPAC2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide
SMILESCn1c(=O)n(CC(=O)Nc2ccccc2)c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C20H17N5O2/c1-24-19-16(12-21-18(23-19)14-8-4-2-5-9-14)25(20(24)27)13-17(26)22-15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,22,26)
InChIKeyYHFLVCDEHHGVPO-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.44
Rot. Bonds4

About 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide

2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide (PubChem CID 15462531) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide
PubChem CID15462531
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide
SMILESCn1c(=O)n(CC(=O)Nc2ccccc2)c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C20H17N5O2/c1-24-19-16(12-21-18(23-19)14-8-4-2-5-9-14)25(20(24)27)13-17(26)22-15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,22,26)
InChIKeyYHFLVCDEHHGVPO-UHFFFAOYSA-N
XLogP2.44
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one
CID 22617809
N-(4-fluorophenyl)-2-[1-methyl-7-(4-methylphenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]acetamide
CID 53116283
N-[(4-ethylphenyl)methyl]-2-(1-methyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)acetamide
CID 53116477
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
N-(4-ethoxyphenyl)-2-[1-methyl-7-(4-methylphenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]acetamide
CID 53116306
N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
CID 22617792
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55951935
N-(2,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)acetamide
CID 53116413
N-(3-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)acetamide
CID 53116353
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-(3-chloro-4-methoxyphenyl)-2-[1-methyl-7-(4-methylphenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]acetamide
CID 53116285
N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
CID 3848501

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide?
The IUPAC name of 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide (CID 15462531) is 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide?
The canonical SMILES for 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide is Cn1c(=O)n(CC(=O)Nc2ccccc2)c2cnc(-c3ccccc3)nc21.
What is the InChIKey of 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide?
The InChIKey is YHFLVCDEHHGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-24-19-16(12-21-18(23-19)14-8-4-2-5-9-14)25(20(24)27)13-17(26)22-15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,22,26).
What are the key properties of 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide?
2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide has a molecular weight of 359.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-8-oxo-2-phenylpurin-7-yl)-N-phenylacetamide is sourced from PubChem (CID 15462531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).