1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride

C7H11ClN2O2 — CID 90201005

IUPAC1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride
SMILESCc1nc(=O)n(O)c(C)c1C.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-4-5(2)8-7(10)9(11)6(4)3;/h11H,1-3H3;1H
InChIKeyFRSKTTWSNKANRT-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.83
Rot. Bonds

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

1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride (PubChem CID 90201005) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride
PubChem CID90201005
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride
SMILESCc1nc(=O)n(O)c(C)c1C.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-4-5(2)8-7(10)9(11)6(4)3;/h11H,1-3H3;1H
InChIKeyFRSKTTWSNKANRT-UHFFFAOYSA-N
XLogP0.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.83
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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Related Compounds

1-Hydroxy-4,5,6-trimethylpyrimidin-2-one
CID 71468477
5-Chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one
CID 71468610
3-Hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one
CID 71468618
5-Ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one
CID 71468754
4,6-Dimethylpyrimidin-2-ol-1-oxide hydrochloride
CID 86720850
4-Ethyl-1-hydroxy-6-methylpyrimidin-2-one;hydrochloride
CID 90200900
5-Ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 90201097
5-Chloro-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 90201144
3-Hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride
CID 90201177
3-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride
CID 90201204
3-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 90201205
3-hydroxy-4,5,6-trimethyl-1H-pyrimidin-3-ium-2-one
CID 123179100

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride?
The IUPAC name of 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride (CID 90201005) is 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride is Cc1nc(=O)n(O)c(C)c1C.Cl.
What is the InChIKey of 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride?
The InChIKey is FRSKTTWSNKANRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-4-5(2)8-7(10)9(11)6(4)3;/h11H,1-3H3;1H.
What are the key properties of 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride?
1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,5,6-trimethylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 90201005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).