1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea

C8H10N6O3 — CID 137222218

IUPAC1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea
SMILESO=C(NCCO)Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C8H10N6O3/c15-2-1-9-8(17)14-7-12-5-4(6(16)13-7)10-3-11-5/h3,15H,1-2H2,(H4,9,10,11,12,13,14,16,17)
InChIKeyYBCGAIJSPXKSEQ-UHFFFAOYSA-N
MW238.21 g/mol
LogP-1.24
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea

1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea (PubChem CID 137222218) has the molecular formula C8H10N6O3 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea
PubChem CID137222218
Molecular FormulaC8H10N6O3
Molecular Weight238.21 g/mol
Exact Mass238.08
IUPAC Name1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea
SMILESO=C(NCCO)Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C8H10N6O3/c15-2-1-9-8(17)14-7-12-5-4(6(16)13-7)10-3-11-5/h3,15H,1-2H2,(H4,9,10,11,12,13,14,16,17)
InChIKeyYBCGAIJSPXKSEQ-UHFFFAOYSA-N
XLogP-1.24
TPSA135.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea (CID 137222218) is 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea is O=C(NCCO)Nc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea?
The InChIKey is YBCGAIJSPXKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O3/c15-2-1-9-8(17)14-7-12-5-4(6(16)13-7)10-3-11-5/h3,15H,1-2H2,(H4,9,10,11,12,13,14,16,17).
What are the key properties of 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea?
1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea has a molecular weight of 238.21 g/mol, XLogP of -1.24, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(6-oxo-1,7-dihydropurin-2-yl)urea is sourced from PubChem (CID 137222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).