4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one

C7H10N2O3 — CID 63612104

IUPAC4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O3/c1-4-6(10)8-5(3-12-2)9-7(4)11/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeyZIVRBIDAUBTTHH-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.07
Rot. Bonds2

About 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one

4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 63612104) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID63612104
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O3/c1-4-6(10)8-5(3-12-2)9-7(4)11/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeyZIVRBIDAUBTTHH-UHFFFAOYSA-N
XLogP-0.07
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one (CID 63612104) is 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one is COCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ZIVRBIDAUBTTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-6(10)8-5(3-12-2)9-7(4)11/h3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).