2-pyrimidin-5-ylsulfanylpyrimidine

C8H6N4S — CID 66973680

IUPAC2-pyrimidin-5-ylsulfanylpyrimidine
SMILESc1cnc(Sc2cncnc2)nc1
InChIInChI=1S/C8H6N4S/c1-2-11-8(12-3-1)13-7-4-9-6-10-5-7/h1-6H
InChIKeyKYUTTZLLGAWFAP-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.42
Rot. Bonds2

About 2-pyrimidin-5-ylsulfanylpyrimidine

2-pyrimidin-5-ylsulfanylpyrimidine (PubChem CID 66973680) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-pyrimidin-5-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-pyrimidin-5-ylsulfanylpyrimidine
PubChem CID66973680
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name2-pyrimidin-5-ylsulfanylpyrimidine
SMILESc1cnc(Sc2cncnc2)nc1
InChIInChI=1S/C8H6N4S/c1-2-11-8(12-3-1)13-7-4-9-6-10-5-7/h1-6H
InChIKeyKYUTTZLLGAWFAP-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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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylsulfanylpyrimidine?
The IUPAC name of 2-pyrimidin-5-ylsulfanylpyrimidine (CID 66973680) is 2-pyrimidin-5-ylsulfanylpyrimidine.
What is the SMILES notation for 2-pyrimidin-5-ylsulfanylpyrimidine?
The canonical SMILES for 2-pyrimidin-5-ylsulfanylpyrimidine is c1cnc(Sc2cncnc2)nc1.
What is the InChIKey of 2-pyrimidin-5-ylsulfanylpyrimidine?
The InChIKey is KYUTTZLLGAWFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c1-2-11-8(12-3-1)13-7-4-9-6-10-5-7/h1-6H.
What are the key properties of 2-pyrimidin-5-ylsulfanylpyrimidine?
2-pyrimidin-5-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-5-ylsulfanylpyrimidine is sourced from PubChem (CID 66973680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).