2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

C15H16F3N3OS — CID 133311621

IUPAC2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccccc1CSc1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3OS/c1-21(2)13-8-12(15(16,17)18)19-14(20-13)23-9-10-6-4-5-7-11(10)22-3/h4-8H,9H2,1-3H3
InChIKeyIOKLTPFEIOUPTR-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.86
Rot. Bonds5

About 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133311621) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133311621
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccccc1CSc1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3OS/c1-21(2)13-8-12(15(16,17)18)19-14(20-13)23-9-10-6-4-5-7-11(10)22-3/h4-8H,9H2,1-3H3
InChIKeyIOKLTPFEIOUPTR-UHFFFAOYSA-N
XLogP3.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 78840255
4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 133311585
4-(3-methoxyphenoxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033825
4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 42846132
4-(3,4-dimethylphenoxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033837
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564803
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 78840256
4-(1,3-benzodioxol-5-yloxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033830
4-(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 126390833
4-(2-chlorophenoxy)-2-[(4-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033773
5-[[4-[benzyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42824958
methyl 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate
CID 2809296

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133311621) is 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is COc1ccccc1CSc1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IOKLTPFEIOUPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-21(2)13-8-12(15(16,17)18)19-14(20-13)23-9-10-6-4-5-7-11(10)22-3/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 343.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133311621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).