6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine

C13H12F3N3OS — CID 62319322

IUPAC6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(SC(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N3OS/c1-20-7-9-6-11(17)19-12(18-9)8-2-4-10(5-3-8)21-13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeySVFPKZFTEIGSPJ-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.48
Rot. Bonds4

About 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine

6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine (PubChem CID 62319322) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine
PubChem CID62319322
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(SC(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N3OS/c1-20-7-9-6-11(17)19-12(18-9)8-2-4-10(5-3-8)21-13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeySVFPKZFTEIGSPJ-UHFFFAOYSA-N
XLogP3.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine (CID 62319322) is 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine is COCc1cc(N)nc(-c2ccc(SC(F)(F)F)cc2)n1.
What is the InChIKey of 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine?
The InChIKey is SVFPKZFTEIGSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-20-7-9-6-11(17)19-12(18-9)8-2-4-10(5-3-8)21-13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19).
What are the key properties of 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine?
6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine has a molecular weight of 315.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62319322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).