N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine

C8H8F3N3 — CID 2796047

IUPACN-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESC=CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3/c1-2-4-12-7-13-5-3-6(14-7)8(9,10)11/h2-3,5H,1,4H2,(H,12,13,14)
InChIKeyPGTZKDAEIJAXTE-UHFFFAOYSA-N
MW203.17 g/mol
LogP2.09
Rot. Bonds3

About N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine

N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2796047) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2796047
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC NameN-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESC=CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3/c1-2-4-12-7-13-5-3-6(14-7)8(9,10)11/h2-3,5H,1,4H2,(H,12,13,14)
InChIKeyPGTZKDAEIJAXTE-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 2796047) is N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine is C=CCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PGTZKDAEIJAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c1-2-4-12-7-13-5-3-6(14-7)8(9,10)11/h2-3,5H,1,4H2,(H,12,13,14).
What are the key properties of N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 203.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).