N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N3S — CID 1483219

IUPACN-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccc(C)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3S/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)21-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyUDEFZUKPTZAQED-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.39
Rot. Bonds4

About N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483219) has the molecular formula C14H14F3N3S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483219
Molecular FormulaC14H14F3N3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC NameN-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccc(C)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3S/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)21-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyUDEFZUKPTZAQED-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483219) is N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Sc2ccc(C)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UDEFZUKPTZAQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3S/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)21-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 313.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).