2-pyridin-4-ylsulfanylpyrimidine

C9H7N3S — CID 118723746

IUPAC2-pyridin-4-ylsulfanylpyrimidine
SMILESc1cnc(Sc2ccncc2)nc1
InChIInChI=1S/C9H7N3S/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1-7H
InChIKeyQFOQVGNHKDTCFU-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.02
Rot. Bonds2

About 2-pyridin-4-ylsulfanylpyrimidine

2-pyridin-4-ylsulfanylpyrimidine (PubChem CID 118723746) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-pyridin-4-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-pyridin-4-ylsulfanylpyrimidine
PubChem CID118723746
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name2-pyridin-4-ylsulfanylpyrimidine
SMILESc1cnc(Sc2ccncc2)nc1
InChIInChI=1S/C9H7N3S/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1-7H
InChIKeyQFOQVGNHKDTCFU-UHFFFAOYSA-N
XLogP2.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-ylsulfanylpyrimidin-4-amine
CID 116798308
2-pyrimidin-2-ylsulfanylpyrimidine
CID 13357482
3-pyrimidin-2-ylsulfanylaniline
CID 56828586
2,4,6-tris(pyrimidin-2-ylsulfanyl)-1,3,5-triazine
CID 101470685
(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80926498
2-(pyridin-4-ylmethylsulfanyl)pyrimidine
CID 13232441
4-pyridin-4-ylsulfanylphenol
CID 15080669
(6-pyridin-4-ylsulfanyl-2-pyridinyl)hydrazine
CID 80926826
2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine
CID 80890422
2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid
CID 141192059
(6-pyrimidin-2-ylsulfanyl-2-pyridinyl)methanamine
CID 64589576

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylsulfanylpyrimidine?
The IUPAC name of 2-pyridin-4-ylsulfanylpyrimidine (CID 118723746) is 2-pyridin-4-ylsulfanylpyrimidine.
What is the SMILES notation for 2-pyridin-4-ylsulfanylpyrimidine?
The canonical SMILES for 2-pyridin-4-ylsulfanylpyrimidine is c1cnc(Sc2ccncc2)nc1.
What is the InChIKey of 2-pyridin-4-ylsulfanylpyrimidine?
The InChIKey is QFOQVGNHKDTCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1-7H.
What are the key properties of 2-pyridin-4-ylsulfanylpyrimidine?
2-pyridin-4-ylsulfanylpyrimidine has a molecular weight of 189.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylsulfanylpyrimidine is sourced from PubChem (CID 118723746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).