4-pyrimidin-2-ylsulfanyltriazine

C7H5N5S — CID 146015003

IUPAC4-pyrimidin-2-ylsulfanyltriazine
SMILESc1cnc(Sc2ccnnn2)nc1
InChIInChI=1S/C7H5N5S/c1-3-8-7(9-4-1)13-6-2-5-10-12-11-6/h1-5H
InChIKeyOGUYCMMHUSBMBF-UHFFFAOYSA-N
MW191.22 g/mol
LogP0.81
Rot. Bonds2

About 4-pyrimidin-2-ylsulfanyltriazine

4-pyrimidin-2-ylsulfanyltriazine (PubChem CID 146015003) has the molecular formula C7H5N5S and a molecular weight of 191.22 g/mol. Its IUPAC name is 4-pyrimidin-2-ylsulfanyltriazine.

Molecular Properties

Compound Name4-pyrimidin-2-ylsulfanyltriazine
PubChem CID146015003
Molecular FormulaC7H5N5S
Molecular Weight191.22 g/mol
Exact Mass191.03
IUPAC Name4-pyrimidin-2-ylsulfanyltriazine
SMILESc1cnc(Sc2ccnnn2)nc1
InChIInChI=1S/C7H5N5S/c1-3-8-7(9-4-1)13-6-2-5-10-12-11-6/h1-5H
InChIKeyOGUYCMMHUSBMBF-UHFFFAOYSA-N
XLogP0.81
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-ylsulfanyltriazine?
The IUPAC name of 4-pyrimidin-2-ylsulfanyltriazine (CID 146015003) is 4-pyrimidin-2-ylsulfanyltriazine.
What is the SMILES notation for 4-pyrimidin-2-ylsulfanyltriazine?
The canonical SMILES for 4-pyrimidin-2-ylsulfanyltriazine is c1cnc(Sc2ccnnn2)nc1.
What is the InChIKey of 4-pyrimidin-2-ylsulfanyltriazine?
The InChIKey is OGUYCMMHUSBMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5S/c1-3-8-7(9-4-1)13-6-2-5-10-12-11-6/h1-5H.
What are the key properties of 4-pyrimidin-2-ylsulfanyltriazine?
4-pyrimidin-2-ylsulfanyltriazine has a molecular weight of 191.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-ylsulfanyltriazine is sourced from PubChem (CID 146015003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).