4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine

C13H10ClF3N2OS — CID 62319959

IUPAC4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(SC(F)(F)F)cc2)n1
InChIInChI=1S/C13H10ClF3N2OS/c1-20-7-9-6-11(14)19-12(18-9)8-2-4-10(5-3-8)21-13(15,16)17/h2-6H,7H2,1H3
InChIKeyPSNNFQILUVAVCL-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.56
Rot. Bonds4

About 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine

4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine (PubChem CID 62319959) has the molecular formula C13H10ClF3N2OS and a molecular weight of 334.75 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
PubChem CID62319959
Molecular FormulaC13H10ClF3N2OS
Molecular Weight334.75 g/mol
Exact Mass334.02
IUPAC Name4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(SC(F)(F)F)cc2)n1
InChIInChI=1S/C13H10ClF3N2OS/c1-20-7-9-6-11(14)19-12(18-9)8-2-4-10(5-3-8)21-13(15,16)17/h2-6H,7H2,1H3
InChIKeyPSNNFQILUVAVCL-UHFFFAOYSA-N
XLogP4.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine (CID 62319959) is 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine is COCc1cc(Cl)nc(-c2ccc(SC(F)(F)F)cc2)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine?
The InChIKey is PSNNFQILUVAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2OS/c1-20-7-9-6-11(14)19-12(18-9)8-2-4-10(5-3-8)21-13(15,16)17/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine?
4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine has a molecular weight of 334.75 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine is sourced from PubChem (CID 62319959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).