7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione

C11H19N5O3 — CID 73327266

IUPAC7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
SMILESCC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CCO
InChIInChI=1S/C11H19N5O3/c1-6(2)12-10-13-8-7(16(10)4-5-17)9(18)14-11(19)15(8)3/h6-8,17H,4-5H2,1-3H3,(H,12,13)(H,14,18,19)
InChIKeyNFPGCAPIEYKPGC-UHFFFAOYSA-N
MW269.31 g/mol
LogP-1.48
Rot. Bonds3

About 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione

7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione (PubChem CID 73327266) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
PubChem CID73327266
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
SMILESCC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CCO
InChIInChI=1S/C11H19N5O3/c1-6(2)12-10-13-8-7(16(10)4-5-17)9(18)14-11(19)15(8)3/h6-8,17H,4-5H2,1-3H3,(H,12,13)(H,14,18,19)
InChIKeyNFPGCAPIEYKPGC-UHFFFAOYSA-N
XLogP-1.48
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-ethyl-5,7-dihydro-4H-purine-2,6-dione
CID 15346966
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-ethyl-4,5-dihydro-3H-purine-2,6-dione
CID 76056259
(2S)-2-(1-methyl-2,6-dioxo-4,5-dihydro-3H-purin-7-yl)propanoic acid
CID 118471787
3-propan-2-yl-5,7-dihydro-4H-purine-2,6-dione
CID 137418846
1-tert-butyl-7-methyl-4,5-dihydro-3H-purine-2,6-dione
CID 139494799
1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090639
1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090640

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione (CID 73327266) is 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione is CC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CCO.
What is the InChIKey of 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?
The InChIKey is NFPGCAPIEYKPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-6(2)12-10-13-8-7(16(10)4-5-17)9(18)14-11(19)15(8)3/h6-8,17H,4-5H2,1-3H3,(H,12,13)(H,14,18,19).
What are the key properties of 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?
7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione has a molecular weight of 269.31 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73327266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).