2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide

C10H15N5O3 — CID 59121523

IUPAC2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide
SMILESCNC(=O)CN1C=NC2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H15N5O3/c1-11-6(16)4-15-5-12-8-7(15)9(17)14(3)10(18)13(8)2/h5,7-8H,4H2,1-3H3,(H,11,16)
InChIKeyAWEDDFWCFOWGEZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.71
Rot. Bonds2

About 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide

2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide (PubChem CID 59121523) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide
PubChem CID59121523
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide
SMILESCNC(=O)CN1C=NC2C1C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H15N5O3/c1-11-6(16)4-15-5-12-8-7(15)9(17)14(3)10(18)13(8)2/h5,7-8H,4H2,1-3H3,(H,11,16)
InChIKeyAWEDDFWCFOWGEZ-UHFFFAOYSA-N
XLogP-1.71
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1,3,4,5-Tetrahydropurine-2,6-dione
CID 9855531
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
1,3,7-Trimethylxanthine, TMS
CID 427849
(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxo-5H-purin-7-ium-7-yl)propanamide
CID 139269453
2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)-5H-purin-7-ium-7-yl]acetamide
CID 139269499
5-Methylxanthine
CID 129720323
1,3-Dimethyl-7-(2,2,2-trifluoroethyl)-4,5-dihydropurine-2,6-dione
CID 124086900
1,3,5,7-tetramethyl-4H-purine-2,6-dione
CID 151924081
3-Isobutyl-5-methylxanthine
CID 129777890
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide (CID 59121523) is 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide is CNC(=O)CN1C=NC2C1C(=O)N(C)C(=O)N2C.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide?
The InChIKey is AWEDDFWCFOWGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-11-6(16)4-15-5-12-8-7(15)9(17)14(3)10(18)13(8)2/h5,7-8H,4H2,1-3H3,(H,11,16).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide?
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide has a molecular weight of 253.26 g/mol, XLogP of -1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide is sourced from PubChem (CID 59121523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).