5-methylsulfonyl-2-pyridazin-4-ylpyrimidine

C9H8N4O2S — CID 137499849

IUPAC5-methylsulfonyl-2-pyridazin-4-ylpyrimidine
SMILESCS(=O)(=O)c1cnc(-c2ccnnc2)nc1
InChIInChI=1S/C9H8N4O2S/c1-16(14,15)8-5-10-9(11-6-8)7-2-3-12-13-4-7/h2-6H,1H3
InChIKeyQBWCYDLGUYGWFG-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.34
Rot. Bonds2

About 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine

5-methylsulfonyl-2-pyridazin-4-ylpyrimidine (PubChem CID 137499849) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine.

Molecular Properties

Compound Name5-methylsulfonyl-2-pyridazin-4-ylpyrimidine
PubChem CID137499849
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name5-methylsulfonyl-2-pyridazin-4-ylpyrimidine
SMILESCS(=O)(=O)c1cnc(-c2ccnnc2)nc1
InChIInChI=1S/C9H8N4O2S/c1-16(14,15)8-5-10-9(11-6-8)7-2-3-12-13-4-7/h2-6H,1H3
InChIKeyQBWCYDLGUYGWFG-UHFFFAOYSA-N
XLogP0.34
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine 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

2-bromo-5-methylsulfonylpyrimidine
CID 59406204
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104671046
2-methylsulfanyl-5-methylsulfonylpyridine
CID 129046719
2-methoxy-5-methylsulfonylpyridine
CID 13433434
2-ethyl-5-methylsulfonylpyridine
CID 70661388
3-chloro-2-fluoro-5-methylsulfonylpyridine
CID 177006540
5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine
CID 141347023
CID 87174460
CID 87174460
2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine
CID 123499908
(4aS,6S,7aS)-6-[methyl-(5-methylsulfonyl-2-pyridinyl)amino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
CID 163314129
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine?
The IUPAC name of 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine (CID 137499849) is 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine.
What is the SMILES notation for 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine?
The canonical SMILES for 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine is CS(=O)(=O)c1cnc(-c2ccnnc2)nc1.
What is the InChIKey of 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine?
The InChIKey is QBWCYDLGUYGWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-16(14,15)8-5-10-9(11-6-8)7-2-3-12-13-4-7/h2-6H,1H3.
What are the key properties of 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine?
5-methylsulfonyl-2-pyridazin-4-ylpyrimidine has a molecular weight of 236.26 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-pyridazin-4-ylpyrimidine is sourced from PubChem (CID 137499849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).