5-(hydroxymethyl)-1H-pyrimidin-6-one

C5H6N2O2 — CID 19690702

IUPAC5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1CO
InChIInChI=1S/C5H6N2O2/c8-2-4-1-6-3-7-5(4)9/h1,3,8H,2H2,(H,6,7,9)
InChIKeyYPLOGADWPNAPJI-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.74
Rot. Bonds1

About 5-(hydroxymethyl)-1H-pyrimidin-6-one

5-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 19690702) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID19690702
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1CO
InChIInChI=1S/C5H6N2O2/c8-2-4-1-6-3-7-5(4)9/h1,3,8H,2H2,(H,6,7,9)
InChIKeyYPLOGADWPNAPJI-UHFFFAOYSA-N
XLogP-0.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(hydroxymethyl)-1H-pyrimidin-6-one (CID 19690702) is 5-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(hydroxymethyl)-1H-pyrimidin-6-one is O=c1[nH]cncc1CO.
What is the InChIKey of 5-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is YPLOGADWPNAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-2-4-1-6-3-7-5(4)9/h1,3,8H,2H2,(H,6,7,9).
What are the key properties of 5-(hydroxymethyl)-1H-pyrimidin-6-one?
5-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 126.11 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 19690702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).