2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide

C6H7N3O2S — CID 152779541

IUPAC2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C6H7N3O2S/c1-12-6-8-2-3(4(7)10)5(11)9-6/h2H,1H3,(H2,7,10)(H,8,9,11)
InChIKeyDQKUHRVASNMBCQ-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.41
Rot. Bonds2

About 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide

2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 152779541) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID152779541
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C6H7N3O2S/c1-12-6-8-2-3(4(7)10)5(11)9-6/h2H,1H3,(H2,7,10)(H,8,9,11)
InChIKeyDQKUHRVASNMBCQ-UHFFFAOYSA-N
XLogP-0.41
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 152779541) is 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide is CSc1ncc(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DQKUHRVASNMBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(4(7)10)5(11)9-6/h2H,1H3,(H2,7,10)(H,8,9,11).
What are the key properties of 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 185.21 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 152779541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).