5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one

C6H8N2O2 — CID 14779126

IUPAC5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CO)c(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4-7-2-5(3-9)6(10)8-4/h2,9H,3H2,1H3,(H,7,8,10)
InChIKeyATTZFOQANXUZIP-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.43
Rot. Bonds1

About 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one

5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 14779126) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID14779126
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CO)c(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4-7-2-5(3-9)6(10)8-4/h2,9H,3H2,1H3,(H,7,8,10)
InChIKeyATTZFOQANXUZIP-UHFFFAOYSA-N
XLogP-0.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one (CID 14779126) is 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CO)c(=O)[nH]1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ATTZFOQANXUZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-7-2-5(3-9)6(10)8-4/h2,9H,3H2,1H3,(H,7,8,10).
What are the key properties of 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one?
5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 140.14 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 14779126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).