6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride

C7H9ClN2O3S — CID 71755853

IUPAC6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)O.Cl
InChIInChI=1S/C7H8N2O3S.ClH/c1-3-4(6(10)11)5(13-2)9-7(12)8-3;/h1-2H3,(H,10,11)(H,8,9,12);1H
InChIKeyWDJLDFNNGJYMJP-UHFFFAOYSA-N
MW236.68 g/mol
LogP0.92
Rot. Bonds2

About 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride

6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride (PubChem CID 71755853) has the molecular formula C7H9ClN2O3S and a molecular weight of 236.68 g/mol. Its IUPAC name is 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
PubChem CID71755853
Molecular FormulaC7H9ClN2O3S
Molecular Weight236.68 g/mol
Exact Mass236.00
IUPAC Name6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)O.Cl
InChIInChI=1S/C7H8N2O3S.ClH/c1-3-4(6(10)11)5(13-2)9-7(12)8-3;/h1-2H3,(H,10,11)(H,8,9,12);1H
InChIKeyWDJLDFNNGJYMJP-UHFFFAOYSA-N
XLogP0.92
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride?
The IUPAC name of 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride (CID 71755853) is 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride is CSc1nc(=O)[nH]c(C)c1C(=O)O.Cl.
What is the InChIKey of 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride?
The InChIKey is WDJLDFNNGJYMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S.ClH/c1-3-4(6(10)11)5(13-2)9-7(12)8-3;/h1-2H3,(H,10,11)(H,8,9,12);1H.
What are the key properties of 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride?
6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride has a molecular weight of 236.68 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 71755853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).