6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H18F3N3S — CID 106774932

IUPAC6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(SCC(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3S/c1-4-5-16-9-6-10(19-7-8(2)3)18-11(17-9)12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyZVYDDJUGZVACOM-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.07
Rot. Bonds6

About 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774932) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774932
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(SCC(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3S/c1-4-5-16-9-6-10(19-7-8(2)3)18-11(17-9)12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyZVYDDJUGZVACOM-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774932) is 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(SCC(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZVYDDJUGZVACOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-4-5-16-9-6-10(19-7-8(2)3)18-11(17-9)12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 293.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).