4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine

C7H7ClF2N2OS — CID 82004361

IUPAC4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OCC(F)F)n1
InChIInChI=1S/C7H7ClF2N2OS/c1-14-7-11-4(8)2-6(12-7)13-3-5(9)10/h2,5H,3H2,1H3
InChIKeyWOGHWFQYZKJDPK-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.50
Rot. Bonds4

About 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine

4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine (PubChem CID 82004361) has the molecular formula C7H7ClF2N2OS and a molecular weight of 240.66 g/mol. Its IUPAC name is 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine
PubChem CID82004361
Molecular FormulaC7H7ClF2N2OS
Molecular Weight240.66 g/mol
Exact Mass239.99
IUPAC Name4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OCC(F)F)n1
InChIInChI=1S/C7H7ClF2N2OS/c1-14-7-11-4(8)2-6(12-7)13-3-5(9)10/h2,5H,3H2,1H3
InChIKeyWOGHWFQYZKJDPK-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine (CID 82004361) is 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(OCC(F)F)n1.
What is the InChIKey of 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine?
The InChIKey is WOGHWFQYZKJDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2OS/c1-14-7-11-4(8)2-6(12-7)13-3-5(9)10/h2,5H,3H2,1H3.
What are the key properties of 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine?
4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine has a molecular weight of 240.66 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2-difluoroethoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 82004361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).