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

C10H15N5O3 — CID 82465307

IUPAC8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(NCCO)nc21
InChIInChI=1S/C10H15N5O3/c1-2-4-15-7-6(8(17)14-10(15)18)12-9(13-7)11-3-5-16/h16H,2-5H2,1H3,(H2,11,12,13)(H,14,17,18)
InChIKeyDKUJAATZSAFPGZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.77
Rot. Bonds5

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

8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione (PubChem CID 82465307) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
PubChem CID82465307
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(NCCO)nc21
InChIInChI=1S/C10H15N5O3/c1-2-4-15-7-6(8(17)14-10(15)18)12-9(13-7)11-3-5-16/h16H,2-5H2,1H3,(H2,11,12,13)(H,14,17,18)
InChIKeyDKUJAATZSAFPGZ-UHFFFAOYSA-N
XLogP-0.77
TPSA115.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione
CID 82465308
3-[(2,6-dioxo-3-propyl-7H-purin-8-yl)amino]propanoic acid
CID 82465310
8-(3-hydroxypropylamino)-3-(3-methoxypropyl)-7H-purine-2,6-dione
CID 82465444
8-(3-hydroxypropylamino)-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 82465364
1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione
CID 82465250
3-ethyl-8-hydrazinyl-7H-purine-2,6-dione
CID 82465284
8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
CID 82465287
8-(2-methyl-1,3-thiazol-4-yl)-3-propyl-7H-purine-2,6-dione
CID 115925487
5-(2,6-dioxo-3-propyl-7H-purin-8-yl)pentanoic acid
CID 82465294
8-(1-ethylcyclopentyl)-3-propyl-7H-purine-2,6-dione
CID 115925532
8-(1-methylpyrazol-3-yl)-3-propyl-7H-purine-2,6-dione
CID 136785876
8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione
CID 112568895

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione (CID 82465307) is 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(NCCO)nc21.
What is the InChIKey of 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione?
The InChIKey is DKUJAATZSAFPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-2-4-15-7-6(8(17)14-10(15)18)12-9(13-7)11-3-5-16/h16H,2-5H2,1H3,(H2,11,12,13)(H,14,17,18).
What are the key properties of 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione?
8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione has a molecular weight of 253.26 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 82465307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).