4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride

C6H9ClN2O3 — CID 75419990

IUPAC4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride
SMILESCOCc1nc(O)cc(=O)[nH]1.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-11-3-4-7-5(9)2-6(10)8-4;/h2H,3H2,1H3,(H2,7,8,9,10);1H
InChIKeyZBXXYJNEVGFFMK-UHFFFAOYSA-N
MW192.60 g/mol
LogP0.04
Rot. Bonds2

About 4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride

4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 75419990) has the molecular formula C6H9ClN2O3 and a molecular weight of 192.60 g/mol. Its IUPAC name is 4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride
PubChem CID75419990
Molecular FormulaC6H9ClN2O3
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride
SMILESCOCc1nc(O)cc(=O)[nH]1.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-11-3-4-7-5(9)2-6(10)8-4;/h2H,3H2,1H3,(H2,7,8,9,10);1H
InChIKeyZBXXYJNEVGFFMK-UHFFFAOYSA-N
XLogP0.04
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 50.04
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)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride (CID 75419990) is 4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride is COCc1nc(O)cc(=O)[nH]1.Cl.
What is the InChIKey of 4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is ZBXXYJNEVGFFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.ClH/c1-11-3-4-7-5(9)2-6(10)8-4;/h2H,3H2,1H3,(H2,7,8,9,10);1H.
What are the key properties of 4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride?
4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 192.60 g/mol, XLogP of 0.04, 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)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 75419990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).