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

C13H10Cl2F3N3S — CID 1483218

IUPAC4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3S/c1-2-19-12-20-10(13(16,17)18)6-11(21-12)22-9-4-3-7(14)5-8(9)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyMBTYVEFIGZWGJL-UHFFFAOYSA-N
MW368.21 g/mol
LogP5.39
Rot. Bonds4

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

4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483218) has the molecular formula C13H10Cl2F3N3S and a molecular weight of 368.21 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483218
Molecular FormulaC13H10Cl2F3N3S
Molecular Weight368.21 g/mol
Exact Mass366.99
IUPAC Name4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3S/c1-2-19-12-20-10(13(16,17)18)6-11(21-12)22-9-4-3-7(14)5-8(9)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyMBTYVEFIGZWGJL-UHFFFAOYSA-N
XLogP5.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.21
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483218) is 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Sc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MBTYVEFIGZWGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3S/c1-2-19-12-20-10(13(16,17)18)6-11(21-12)22-9-4-3-7(14)5-8(9)15/h3-6H,2H2,1H3,(H,19,20,21).
What are the key properties of 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 368.21 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)sulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).