5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride

C6H8Cl2N2O2 — CID 90201144

IUPAC5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCc1nc(=O)n(O)c(C)c1Cl.Cl
InChIInChI=1S/C6H7ClN2O2.ClH/c1-3-5(7)4(2)9(11)6(10)8-3;/h11H,1-2H3;1H
InChIKeyHBRGNYJQDFYNTB-UHFFFAOYSA-N
MW211.05 g/mol
LogP1.17
Rot. Bonds

About 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride

5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride (PubChem CID 90201144) has the molecular formula C6H8Cl2N2O2 and a molecular weight of 211.05 g/mol. Its IUPAC name is 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
PubChem CID90201144
Molecular FormulaC6H8Cl2N2O2
Molecular Weight211.05 g/mol
Exact Mass210.00
IUPAC Name5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCc1nc(=O)n(O)c(C)c1Cl.Cl
InChIInChI=1S/C6H7ClN2O2.ClH/c1-3-5(7)4(2)9(11)6(10)8-3;/h11H,1-2H3;1H
InChIKeyHBRGNYJQDFYNTB-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The IUPAC name of 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride (CID 90201144) is 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride is Cc1nc(=O)n(O)c(C)c1Cl.Cl.
What is the InChIKey of 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
The InChIKey is HBRGNYJQDFYNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2.ClH/c1-3-5(7)4(2)9(11)6(10)8-3;/h11H,1-2H3;1H.
What are the key properties of 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride?
5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride has a molecular weight of 211.05 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 90201144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).