4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine

C10H8ClN3OS — CID 1211474

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C10H8ClN3OS/c1-16-10-13-3-2-9(14-10)15-8-4-7(11)5-12-6-8/h2-6H,1H3
InChIKeyMIGLWBMXCOXEOS-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.04
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine

4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine (PubChem CID 1211474) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine
PubChem CID1211474
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C10H8ClN3OS/c1-16-10-13-3-2-9(14-10)15-8-4-7(11)5-12-6-8/h2-6H,1H3
InChIKeyMIGLWBMXCOXEOS-UHFFFAOYSA-N
XLogP3.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine (CID 1211474) is 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine is CSc1nccc(Oc2cncc(Cl)c2)n1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine?
The InChIKey is MIGLWBMXCOXEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-16-10-13-3-2-9(14-10)15-8-4-7(11)5-12-6-8/h2-6H,1H3.
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine?
4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine has a molecular weight of 253.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 1211474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).