7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione

C10H15N5O4 — CID 3746704

IUPAC7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(NCCO)n2CCO
InChIInChI=1S/C10H15N5O4/c1-14-7-6(8(18)13-10(14)19)15(3-5-17)9(12-7)11-2-4-16/h16-17H,2-5H2,1H3,(H,11,12)(H,13,18,19)
InChIKeyNVIKCFPMGSTSCP-UHFFFAOYSA-N
MW269.26 g/mol
LogP-2.18
Rot. Bonds5

About 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione

7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione (PubChem CID 3746704) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione
PubChem CID3746704
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(NCCO)n2CCO
InChIInChI=1S/C10H15N5O4/c1-14-7-6(8(18)13-10(14)19)15(3-5-17)9(12-7)11-2-4-16/h16-17H,2-5H2,1H3,(H,11,12)(H,13,18,19)
InChIKeyNVIKCFPMGSTSCP-UHFFFAOYSA-N
XLogP-2.18
TPSA125.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione?
The IUPAC name of 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione (CID 3746704) is 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione.
What is the SMILES notation for 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione?
The canonical SMILES for 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1nc(NCCO)n2CCO.
What is the InChIKey of 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione?
The InChIKey is NVIKCFPMGSTSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-14-7-6(8(18)13-10(14)19)15(3-5-17)9(12-7)11-2-4-16/h16-17H,2-5H2,1H3,(H,11,12)(H,13,18,19).
What are the key properties of 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione?
7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione has a molecular weight of 269.26 g/mol, XLogP of -2.18, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione is sourced from PubChem (CID 3746704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).