2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

C10H16N6O3 — CID 45053504

IUPAC2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
SMILESCN(C)C1=NC2C(C(=O)NC(=O)N2C)N1CC(N)=O
InChIInChI=1S/C10H16N6O3/c1-14(2)9-12-7-6(16(9)4-5(11)17)8(18)13-10(19)15(7)3/h6-7H,4H2,1-3H3,(H2,11,17)(H,13,18,19)
InChIKeyFGYXKTGVDFRCDC-UHFFFAOYSA-N
MW268.28 g/mol
LogP-2.42
Rot. Bonds2

About 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide (PubChem CID 45053504) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
PubChem CID45053504
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
SMILESCN(C)C1=NC2C(C(=O)NC(=O)N2C)N1CC(N)=O
InChIInChI=1S/C10H16N6O3/c1-14(2)9-12-7-6(16(9)4-5(11)17)8(18)13-10(19)15(7)3/h6-7H,4H2,1-3H3,(H2,11,17)(H,13,18,19)
InChIKeyFGYXKTGVDFRCDC-UHFFFAOYSA-N
XLogP-2.42
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-2.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-2,6-dioxo-1-(2-oxopropyl)-5H-purin-7-ium-7-yl]propanamide
CID 139269336
(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
5-Methylxanthine
CID 129720323
3-methyl-7-propan-2-yl-8-sulfanylidene-5H-purine-2,6-dione
CID 24869251
1,3-Dimethyl-7-(2,2,2-trifluoroethyl)-4,5-dihydropurine-2,6-dione
CID 124086900
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
1,5-Dimethylxanthine
CID 150760661

Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The IUPAC name of 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide (CID 45053504) is 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The canonical SMILES for 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide is CN(C)C1=NC2C(C(=O)NC(=O)N2C)N1CC(N)=O.
What is the InChIKey of 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The InChIKey is FGYXKTGVDFRCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-14(2)9-12-7-6(16(9)4-5(11)17)8(18)13-10(19)15(7)3/h6-7H,4H2,1-3H3,(H2,11,17)(H,13,18,19).
What are the key properties of 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide has a molecular weight of 268.28 g/mol, XLogP of -2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide is sourced from PubChem (CID 45053504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).