2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine

C12H10N4S2 — CID 138620881

IUPAC2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine
SMILESCSc1nc(-c2cccs2)cc(-n2cccn2)n1
InChIInChI=1S/C12H10N4S2/c1-17-12-14-9(10-4-2-7-18-10)8-11(15-12)16-6-3-5-13-16/h2-8H,1H3
InChIKeyJNPUXUBKJLEZIC-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.11
Rot. Bonds3

About 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine

2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine (PubChem CID 138620881) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine
PubChem CID138620881
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine
SMILESCSc1nc(-c2cccs2)cc(-n2cccn2)n1
InChIInChI=1S/C12H10N4S2/c1-17-12-14-9(10-4-2-7-18-10)8-11(15-12)16-6-3-5-13-16/h2-8H,1H3
InChIKeyJNPUXUBKJLEZIC-UHFFFAOYSA-N
XLogP3.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine?
The IUPAC name of 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine (CID 138620881) is 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine is CSc1nc(-c2cccs2)cc(-n2cccn2)n1.
What is the InChIKey of 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine?
The InChIKey is JNPUXUBKJLEZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c1-17-12-14-9(10-4-2-7-18-10)8-11(15-12)16-6-3-5-13-16/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine?
2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine has a molecular weight of 274.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 138620881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).