N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3S — CID 115659006

IUPACN-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCSCC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3S/c1-3-17-6-7(2)15-9-14-5-4-8(16-9)10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyQWTPYWZMVMYFRI-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.05
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 115659006) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID115659006
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCSCC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3S/c1-3-17-6-7(2)15-9-14-5-4-8(16-9)10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyQWTPYWZMVMYFRI-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 115659006) is N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is CCSCC(C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QWTPYWZMVMYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-3-17-6-7(2)15-9-14-5-4-8(16-9)10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 115659006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).