8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione

C11H19N5O2 — CID 10467447

IUPAC8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
SMILESCCCN1C(=O)C2NC(N)=NC2N(CCC)C1=O
InChIInChI=1S/C11H19N5O2/c1-3-5-15-8-7(13-10(12)14-8)9(17)16(6-4-2)11(15)18/h7-8H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyHSVAICCOLMJETQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.32
Rot. Bonds4

About 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione

8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione (PubChem CID 10467447) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione.

Molecular Properties

Compound Name8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
PubChem CID10467447
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
SMILESCCCN1C(=O)C2NC(N)=NC2N(CCC)C1=O
InChIInChI=1S/C11H19N5O2/c1-3-5-15-8-7(13-10(12)14-8)9(17)16(6-4-2)11(15)18/h7-8H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyHSVAICCOLMJETQ-UHFFFAOYSA-N
XLogP-0.32
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
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
(8aR)-1,3-dioxo-N,2-di(propan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 7161700
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
8-[(1,3-dimethyl-2,6-dioxo-5,7-dihydro-4H-purin-8-yl)disulfanyl]-1,3-dimethyl-5,7-dihydro-4H-purine-2,6-dione
CID 44346627
5-Methylxanthine
CID 129720323
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
1,5-Dimethylxanthine
CID 150760661
(4R,5R)-3,4,5,7-tetrahydropurine-2,6-dione
CID 3086084

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione?
The IUPAC name of 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione (CID 10467447) is 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione.
What is the SMILES notation for 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione?
The canonical SMILES for 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione is CCCN1C(=O)C2NC(N)=NC2N(CCC)C1=O.
What is the InChIKey of 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione?
The InChIKey is HSVAICCOLMJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-5-15-8-7(13-10(12)14-8)9(17)16(6-4-2)11(15)18/h7-8H,3-6H2,1-2H3,(H3,12,13,14).
What are the key properties of 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione?
8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione has a molecular weight of 253.31 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione is sourced from PubChem (CID 10467447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).