5-(hydroxymethyl)-3-methylpyrimidin-4-one

C6H8N2O2 — CID 83872323

IUPAC5-(hydroxymethyl)-3-methylpyrimidin-4-one
SMILESCn1cncc(CO)c1=O
InChIInChI=1S/C6H8N2O2/c1-8-4-7-2-5(3-9)6(8)10/h2,4,9H,3H2,1H3
InChIKeyYULPYWVSUJGRIR-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.73
Rot. Bonds1

About 5-(hydroxymethyl)-3-methylpyrimidin-4-one

5-(hydroxymethyl)-3-methylpyrimidin-4-one (PubChem CID 83872323) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-methylpyrimidin-4-one
PubChem CID83872323
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-(hydroxymethyl)-3-methylpyrimidin-4-one
SMILESCn1cncc(CO)c1=O
InChIInChI=1S/C6H8N2O2/c1-8-4-7-2-5(3-9)6(8)10/h2,4,9H,3H2,1H3
InChIKeyYULPYWVSUJGRIR-UHFFFAOYSA-N
XLogP-0.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-methylpyrimidin-4-one?
The IUPAC name of 5-(hydroxymethyl)-3-methylpyrimidin-4-one (CID 83872323) is 5-(hydroxymethyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-(hydroxymethyl)-3-methylpyrimidin-4-one is Cn1cncc(CO)c1=O.
What is the InChIKey of 5-(hydroxymethyl)-3-methylpyrimidin-4-one?
The InChIKey is YULPYWVSUJGRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-4-7-2-5(3-9)6(8)10/h2,4,9H,3H2,1H3.
What are the key properties of 5-(hydroxymethyl)-3-methylpyrimidin-4-one?
5-(hydroxymethyl)-3-methylpyrimidin-4-one has a molecular weight of 140.14 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 83872323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).