2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine

C8H12F3N3 — CID 70252666

IUPAC2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine
SMILESCC(C)(N)C1=CC=NC(C(F)(F)F)N1
InChIInChI=1S/C8H12F3N3/c1-7(2,12)5-3-4-13-6(14-5)8(9,10)11/h3-4,6,14H,12H2,1-2H3
InChIKeyGPABHFXYOFTWFD-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.17
Rot. Bonds1

About 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine

2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine (PubChem CID 70252666) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine
PubChem CID70252666
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine
SMILESCC(C)(N)C1=CC=NC(C(F)(F)F)N1
InChIInChI=1S/C8H12F3N3/c1-7(2,12)5-3-4-13-6(14-5)8(9,10)11/h3-4,6,14H,12H2,1-2H3
InChIKeyGPABHFXYOFTWFD-UHFFFAOYSA-N
XLogP1.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine?
The IUPAC name of 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine (CID 70252666) is 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine is CC(C)(N)C1=CC=NC(C(F)(F)F)N1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine?
The InChIKey is GPABHFXYOFTWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-7(2,12)5-3-4-13-6(14-5)8(9,10)11/h3-4,6,14H,12H2,1-2H3.
What are the key properties of 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine?
2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine has a molecular weight of 207.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1,2-dihydropyrimidin-6-yl]propan-2-amine is sourced from PubChem (CID 70252666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).