4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one

C6H8N2O3 — CID 68982555

IUPAC4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCO)[nH]1
InChIInChI=1S/C6H8N2O3/c9-2-1-4-7-5(10)3-6(11)8-4/h3,9H,1-2H2,(H2,7,8,10,11)
InChIKeyFENIHWPLCHJEPK-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.99
Rot. Bonds2

About 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one (PubChem CID 68982555) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one
PubChem CID68982555
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCO)[nH]1
InChIInChI=1S/C6H8N2O3/c9-2-1-4-7-5(10)3-6(11)8-4/h3,9H,1-2H2,(H2,7,8,10,11)
InChIKeyFENIHWPLCHJEPK-UHFFFAOYSA-N
XLogP-0.99
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one (CID 68982555) is 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CCO)[nH]1.
What is the InChIKey of 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one?
The InChIKey is FENIHWPLCHJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-2-1-4-7-5(10)3-6(11)8-4/h3,9H,1-2H2,(H2,7,8,10,11).
What are the key properties of 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one has a molecular weight of 156.14 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 68982555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).