6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid

C10H10N4O3S — CID 107421567

IUPAC6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(SCn2cccn2)c1C(=O)O
InChIInChI=1S/C10H10N4O3S/c1-6-7(9(15)16)8(13-10(17)12-6)18-5-14-4-2-3-11-14/h2-4H,5H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyPZYOEIAQPFFZOW-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.72
Rot. Bonds4

About 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid

6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 107421567) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID107421567
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(SCn2cccn2)c1C(=O)O
InChIInChI=1S/C10H10N4O3S/c1-6-7(9(15)16)8(13-10(17)12-6)18-5-14-4-2-3-11-14/h2-4H,5H2,1H3,(H,15,16)(H,12,13,17)
InChIKeyPZYOEIAQPFFZOW-UHFFFAOYSA-N
XLogP0.72
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-4-[(1-methylpyrazol-4-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43350630
6-methyl-2-oxo-4-(2-pyrazol-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid
CID 61492005
4-[(1-ethylpyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 62127396
6-methyl-2-oxo-4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidine-5-carboxylic acid
CID 64771423
6-methyl-4-[(1-methylpyrazol-3-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82867106
6-methyl-4-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 102999474

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid (CID 107421567) is 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid is Cc1[nH]c(=O)nc(SCn2cccn2)c1C(=O)O.
What is the InChIKey of 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is PZYOEIAQPFFZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-6-7(9(15)16)8(13-10(17)12-6)18-5-14-4-2-3-11-14/h2-4H,5H2,1H3,(H,15,16)(H,12,13,17).
What are the key properties of 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid?
6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-(pyrazol-1-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 107421567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).