2-pyrimidin-2-ylsulfanylpyrimidine

C8H6N4S — CID 13357482

IUPAC2-pyrimidin-2-ylsulfanylpyrimidine
SMILESc1cnc(Sc2ncccn2)nc1
InChIInChI=1S/C8H6N4S/c1-3-9-7(10-4-1)13-8-11-5-2-6-12-8/h1-6H
InChIKeyHVLIWXLWROHBHN-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.42
Rot. Bonds2

About 2-pyrimidin-2-ylsulfanylpyrimidine

2-pyrimidin-2-ylsulfanylpyrimidine (PubChem CID 13357482) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanylpyrimidine
PubChem CID13357482
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name2-pyrimidin-2-ylsulfanylpyrimidine
SMILESc1cnc(Sc2ncccn2)nc1
InChIInChI=1S/C8H6N4S/c1-3-9-7(10-4-1)13-8-11-5-2-6-12-8/h1-6H
InChIKeyHVLIWXLWROHBHN-UHFFFAOYSA-N
XLogP1.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-tris(pyrimidin-2-ylsulfanyl)-1,3,5-triazine
CID 101470685
2-pyridin-4-ylsulfanylpyrimidine
CID 118723746
2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
3-pyrimidin-2-ylsulfanylaniline
CID 56828586
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
2-(2-pyrimidin-2-yloxyphenyl)sulfanylpyrimidine
CID 54179236
(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol
CID 63813721
(6-pyrimidin-2-ylsulfanyl-2-pyridinyl)methanamine
CID 64589576
2-propylsulfanylpyrimidine
CID 19027205
N-methyl-1-(2-pyrimidin-2-ylsulfanylphenyl)methanamine
CID 63804628
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925697

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanylpyrimidine?
The IUPAC name of 2-pyrimidin-2-ylsulfanylpyrimidine (CID 13357482) is 2-pyrimidin-2-ylsulfanylpyrimidine.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanylpyrimidine?
The canonical SMILES for 2-pyrimidin-2-ylsulfanylpyrimidine is c1cnc(Sc2ncccn2)nc1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanylpyrimidine?
The InChIKey is HVLIWXLWROHBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c1-3-9-7(10-4-1)13-8-11-5-2-6-12-8/h1-6H.
What are the key properties of 2-pyrimidin-2-ylsulfanylpyrimidine?
2-pyrimidin-2-ylsulfanylpyrimidine has a molecular weight of 190.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanylpyrimidine is sourced from PubChem (CID 13357482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).