8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione

C11H17N5O3 — CID 82465308

IUPAC8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(NCCCO)nc21
InChIInChI=1S/C11H17N5O3/c1-2-5-16-8-7(9(18)15-11(16)19)13-10(14-8)12-4-3-6-17/h17H,2-6H2,1H3,(H2,12,13,14)(H,15,18,19)
InChIKeyBWUOUERSAYEBMI-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.38
Rot. Bonds6

About 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione

8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione (PubChem CID 82465308) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione
PubChem CID82465308
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(NCCCO)nc21
InChIInChI=1S/C11H17N5O3/c1-2-5-16-8-7(9(18)15-11(16)19)13-10(14-8)12-4-3-6-17/h17H,2-6H2,1H3,(H2,12,13,14)(H,15,18,19)
InChIKeyBWUOUERSAYEBMI-UHFFFAOYSA-N
XLogP-0.38
TPSA115.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
CID 82465307
8-(3-hydroxypropylamino)-3-(3-methoxypropyl)-7H-purine-2,6-dione
CID 82465444
3-[(2,6-dioxo-3-propyl-7H-purin-8-yl)amino]propanoic acid
CID 82465310
8-(3-hydroxypropylamino)-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 82465364
3-cyclohexyl-8-(3-hydroxypropylamino)-7H-purine-2,6-dione
CID 82465183
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
3-ethyl-8-hydrazinyl-7H-purine-2,6-dione
CID 82465284
8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
CID 82465287
5-(2,6-dioxo-3-propyl-7H-purin-8-yl)pentanoic acid
CID 82465294
8-(2-methyl-1,3-thiazol-4-yl)-3-propyl-7H-purine-2,6-dione
CID 115925487
8-(3-hydroxypropylamino)-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82464244
8-(1-ethylcyclopentyl)-3-propyl-7H-purine-2,6-dione
CID 115925532

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione (CID 82465308) is 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(NCCCO)nc21.
What is the InChIKey of 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione?
The InChIKey is BWUOUERSAYEBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-5-16-8-7(9(18)15-11(16)19)13-10(14-8)12-4-3-6-17/h17H,2-6H2,1H3,(H2,12,13,14)(H,15,18,19).
What are the key properties of 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione?
8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione has a molecular weight of 267.29 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 82465308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).