4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine

C10H9ClN2OS2 — CID 80545886

IUPAC4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(SCc2ccco2)n1
InChIInChI=1S/C10H9ClN2OS2/c1-15-10-12-8(11)5-9(13-10)16-6-7-3-2-4-14-7/h2-5H,6H2,1H3
InChIKeyTVNRXRDAPSNSJZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine

4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine (PubChem CID 80545886) has the molecular formula C10H9ClN2OS2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
PubChem CID80545886
Molecular FormulaC10H9ClN2OS2
Molecular Weight272.78 g/mol
Exact Mass271.98
IUPAC Name4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(SCc2ccco2)n1
InChIInChI=1S/C10H9ClN2OS2/c1-15-10-12-8(11)5-9(13-10)16-6-7-3-2-4-14-7/h2-5H,6H2,1H3
InChIKeyTVNRXRDAPSNSJZ-UHFFFAOYSA-N
XLogP3.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine (CID 80545886) is 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(SCc2ccco2)n1.
What is the InChIKey of 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine?
The InChIKey is TVNRXRDAPSNSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS2/c1-15-10-12-8(11)5-9(13-10)16-6-7-3-2-4-14-7/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine?
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine has a molecular weight of 272.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 80545886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).