N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide

C10H15N5O4 — CID 74609760

IUPACN-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
SMILESCN1C(=O)NC(=O)C2C1N=CN2CC(=O)NCCO
InChIInChI=1S/C10H15N5O4/c1-14-8-7(9(18)13-10(14)19)15(5-12-8)4-6(17)11-2-3-16/h5,7-8,16H,2-4H2,1H3,(H,11,17)(H,13,18,19)
InChIKeyYAHQJLLOGUQVRT-UHFFFAOYSA-N
MW269.26 g/mol
LogP-2.68
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide

N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide (PubChem CID 74609760) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
PubChem CID74609760
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC NameN-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
SMILESCN1C(=O)NC(=O)C2C1N=CN2CC(=O)NCCO
InChIInChI=1S/C10H15N5O4/c1-14-8-7(9(18)13-10(14)19)15(5-12-8)4-6(17)11-2-3-16/h5,7-8,16H,2-4H2,1H3,(H,11,17)(H,13,18,19)
InChIKeyYAHQJLLOGUQVRT-UHFFFAOYSA-N
XLogP-2.68
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.68
H-Bond Donors ≤ 53
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-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
7-(3-Hydroxypropyl)-1,3-dimethyl-1,3,4,5,7-pentahydropurine-2,6-dione
CID 5028327
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetic Acid
CID 121179
1H-Purine-2,6-dione, 3,4,5,9-tetrahydro-1,3-dimethyl-
CID 3052767
3-ethyl-5,7-dihydro-4H-purine-2,6-dione
CID 15346966
3-methyl-5,7-dihydro-4H-purine-2,6-dione
CID 15765823
1-Methyl-3,4,5,7-tetrahydropurine-2,6-dione
CID 23558449
3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 45272369
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide
CID 59121523
7-methyl-4,5-dihydro-3H-purine-2,6-dione
CID 71304053
7-ethyl-4,5-dihydro-3H-purine-2,6-dione
CID 76056259

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide (CID 74609760) is N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide is CN1C(=O)NC(=O)C2C1N=CN2CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide?
The InChIKey is YAHQJLLOGUQVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-14-8-7(9(18)13-10(14)19)15(5-12-8)4-6(17)11-2-3-16/h5,7-8,16H,2-4H2,1H3,(H,11,17)(H,13,18,19).
What are the key properties of N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide?
N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide has a molecular weight of 269.26 g/mol, XLogP of -2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide is sourced from PubChem (CID 74609760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).