6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H14F3N3S — CID 106774952

IUPAC6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)Sc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3S/c1-4-6(2)17-8-5-7(14-3)15-9(16-8)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,15,16)
InChIKeyUABNMUWGUPJZGQ-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.43
Rot. Bonds4

About 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774952) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774952
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)Sc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3S/c1-4-6(2)17-8-5-7(14-3)15-9(16-8)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,15,16)
InChIKeyUABNMUWGUPJZGQ-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774952) is 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CCC(C)Sc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UABNMUWGUPJZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-4-6(2)17-8-5-7(14-3)15-9(16-8)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 265.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).