2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide

C14H13N5O3 — CID 7304333

IUPAC2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
SMILESCn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1ccccc1
InChIInChI=1S/C14H13N5O3/c1-18-12-11(13(21)17-14(18)22)19(8-15-12)7-10(20)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)(H,17,21,22)
InChIKeyPBDWTGXAHHERGR-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.06
Rot. Bonds3

About 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide

2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide (PubChem CID 7304333) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
PubChem CID7304333
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
SMILESCn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1ccccc1
InChIInChI=1S/C14H13N5O3/c1-18-12-11(13(21)17-14(18)22)19(8-15-12)7-10(20)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)(H,17,21,22)
InChIKeyPBDWTGXAHHERGR-UHFFFAOYSA-N
XLogP0.06
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-7-(5-phenoxypentyl)purine-2,6-dione
CID 54276959
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium
CID 88570004
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897
3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione
CID 154323875
[3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]-methyl-oxoazanium
CID 58312063
2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide
CID 118960981
2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 7159357
N-(4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 743810
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethynylphenyl)acetamide
CID 164524269
methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 1116268
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
(3-methyl-2,6-dioxopurin-7-yl)methyl 2,2-dimethylpropanoate
CID 102157464

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide (CID 7304333) is 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide is Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1ccccc1.
What is the InChIKey of 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?
The InChIKey is PBDWTGXAHHERGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-18-12-11(13(21)17-14(18)22)19(8-15-12)7-10(20)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)(H,17,21,22).
What are the key properties of 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?
2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide has a molecular weight of 299.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide is sourced from PubChem (CID 7304333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).