[1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine

C7H10F3N3 — CID 142654760

IUPAC[1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine
SMILESNCC1=NCN(CC(F)(F)F)C=C1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)4-13-2-1-6(3-11)12-5-13/h1-2H,3-5,11H2
InChIKeyHQKIPFNAHOHOKG-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.74
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine

[1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine (PubChem CID 142654760) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine
PubChem CID142654760
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name[1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine
SMILESNCC1=NCN(CC(F)(F)F)C=C1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)4-13-2-1-6(3-11)12-5-13/h1-2H,3-5,11H2
InChIKeyHQKIPFNAHOHOKG-UHFFFAOYSA-N
XLogP0.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine (CID 142654760) is [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine is NCC1=NCN(CC(F)(F)F)C=C1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine?
The InChIKey is HQKIPFNAHOHOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)4-13-2-1-6(3-11)12-5-13/h1-2H,3-5,11H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine?
[1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine is sourced from PubChem (CID 142654760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).