N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C13H11F3N4 — CID 3797864

IUPACN-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESC=CCNc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C13H11F3N4/c1-2-6-18-11-8-10(13(14,15)16)19-12(20-11)9-5-3-4-7-17-9/h2-5,7-8H,1,6H2,(H,18,19,20)
InChIKeyONIXBDRIXFCFEY-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.16
Rot. Bonds4

About N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 3797864) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID3797864
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC NameN-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESC=CCNc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C13H11F3N4/c1-2-6-18-11-8-10(13(14,15)16)19-12(20-11)9-5-3-4-7-17-9/h2-5,7-8H,1,6H2,(H,18,19,20)
InChIKeyONIXBDRIXFCFEY-UHFFFAOYSA-N
XLogP3.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 3797864) is N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is C=CCNc1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ONIXBDRIXFCFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c1-2-6-18-11-8-10(13(14,15)16)19-12(20-11)9-5-3-4-7-17-9/h2-5,7-8H,1,6H2,(H,18,19,20).
What are the key properties of N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 280.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 3797864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).