6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide

C11H14N6O2S — CID 103741517

About 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide

6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 103741517) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide
• PubChem CID: 103741517
• Molecular Formula: C11H14N6O2S
• Molecular Weight: 294.34 g/mol
• Exact Mass: 294.09
• IUPAC Name: 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide
• SMILES: CSc1nc(=O)[nH]c(C)c1C(=O)NC(C)c1ncn[nH]1
• InChI: InChI=1S/C11H14N6O2S/c1-5-7(10(20-3)16-11(19)15-5)9(18)14-6(2)8-12-4-13-17-8/h4,6H,1-3H3,(H,14,18)(H,12,13,17)(H,15,16,19)
• InChIKey: MBTQCLSQJHMAFJ-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.34
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide?

The IUPAC name of 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 103741517) is 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)NC(C)c1ncn[nH]1.

What is the InChIKey of 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide?

The InChIKey is MBTQCLSQJHMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-5-7(10(20-3)16-11(19)15-5)9(18)14-6(2)8-12-4-13-17-8/h4,6H,1-3H3,(H,14,18)(H,12,13,17)(H,15,16,19).

What are the key properties of 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide?

6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 103741517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).