2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine

C8H10F3N3 — CID 138111960

IUPAC2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine
SMILESCC(C)(c1ncc(N)cn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3/c1-7(2,8(9,10)11)6-13-3-5(12)4-14-6/h3-4H,12H2,1-2H3
InChIKeyFFYAZFOCZRZFDL-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.90
Rot. Bonds1

About 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine

2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine (PubChem CID 138111960) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine
PubChem CID138111960
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine
SMILESCC(C)(c1ncc(N)cn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3/c1-7(2,8(9,10)11)6-13-3-5(12)4-14-6/h3-4H,12H2,1-2H3
InChIKeyFFYAZFOCZRZFDL-UHFFFAOYSA-N
XLogP1.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine?
The IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine (CID 138111960) is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine is CC(C)(c1ncc(N)cn1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine?
The InChIKey is FFYAZFOCZRZFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-7(2,8(9,10)11)6-13-3-5(12)4-14-6/h3-4H,12H2,1-2H3.
What are the key properties of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine?
2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine has a molecular weight of 205.18 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 138111960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).