4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine

C7H8F3N3 — CID 82374823

IUPAC4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCCc1nc(C(F)(F)F)ncc1N
InChIInChI=1S/C7H8F3N3/c1-2-5-4(11)3-12-6(13-5)7(8,9)10/h3H,2,11H2,1H3
InChIKeyJJINNLAICVZWPG-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.64
Rot. Bonds1

About 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine

4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 82374823) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID82374823
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCCc1nc(C(F)(F)F)ncc1N
InChIInChI=1S/C7H8F3N3/c1-2-5-4(11)3-12-6(13-5)7(8,9)10/h3H,2,11H2,1H3
InChIKeyJJINNLAICVZWPG-UHFFFAOYSA-N
XLogP1.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine (CID 82374823) is 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine is CCc1nc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is JJINNLAICVZWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-2-5-4(11)3-12-6(13-5)7(8,9)10/h3H,2,11H2,1H3.
What are the key properties of 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine?
4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 191.16 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 82374823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).