5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride

C7H11ClN2O3 — CID 22594875

IUPAC5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride
SMILESCc1nc(CO)c(O)c(=O)n1C.Cl
InChIInChI=1S/C7H10N2O3.ClH/c1-4-8-5(3-10)6(11)7(12)9(4)2;/h10-11H,3H2,1-2H3;1H
InChIKeyFVRYNCPHSPQKKY-UHFFFAOYSA-N
MW206.63 g/mol
LogP-0.29
Rot. Bonds1

About 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride

5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride (PubChem CID 22594875) has the molecular formula C7H11ClN2O3 and a molecular weight of 206.63 g/mol. Its IUPAC name is 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride
PubChem CID22594875
Molecular FormulaC7H11ClN2O3
Molecular Weight206.63 g/mol
Exact Mass206.05
IUPAC Name5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride
SMILESCc1nc(CO)c(O)c(=O)n1C.Cl
InChIInChI=1S/C7H10N2O3.ClH/c1-4-8-5(3-10)6(11)7(12)9(4)2;/h10-11H,3H2,1-2H3;1H
InChIKeyFVRYNCPHSPQKKY-UHFFFAOYSA-N
XLogP-0.29
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride?
The IUPAC name of 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride (CID 22594875) is 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride.
What is the SMILES notation for 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride?
The canonical SMILES for 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride is Cc1nc(CO)c(O)c(=O)n1C.Cl.
What is the InChIKey of 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride?
The InChIKey is FVRYNCPHSPQKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.ClH/c1-4-8-5(3-10)6(11)7(12)9(4)2;/h10-11H,3H2,1-2H3;1H.
What are the key properties of 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride?
5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride has a molecular weight of 206.63 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one;hydrochloride is sourced from PubChem (CID 22594875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).