4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine

C9H9ClF2N2OS — CID 156880583

IUPAC4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OC2CC(F)(F)C2)n1
InChIInChI=1S/C9H9ClF2N2OS/c1-16-8-13-6(10)2-7(14-8)15-5-3-9(11,12)4-5/h2,5H,3-4H2,1H3
InChIKeyUACCDPNMUGQGGF-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.03
Rot. Bonds3

About 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine

4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine (PubChem CID 156880583) has the molecular formula C9H9ClF2N2OS and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine
PubChem CID156880583
Molecular FormulaC9H9ClF2N2OS
Molecular Weight266.70 g/mol
Exact Mass266.01
IUPAC Name4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OC2CC(F)(F)C2)n1
InChIInChI=1S/C9H9ClF2N2OS/c1-16-8-13-6(10)2-7(14-8)15-5-3-9(11,12)4-5/h2,5H,3-4H2,1H3
InChIKeyUACCDPNMUGQGGF-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine (CID 156880583) is 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(OC2CC(F)(F)C2)n1.
What is the InChIKey of 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine?
The InChIKey is UACCDPNMUGQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2OS/c1-16-8-13-6(10)2-7(14-8)15-5-3-9(11,12)4-5/h2,5H,3-4H2,1H3.
What are the key properties of 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine?
4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,3-difluorocyclobutyl)oxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 156880583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).