N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine

C11H7BrClF3N4 — CID 169045945

IUPACN-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cnc(Br)nc2)cc(Cl)n1
InChIInChI=1S/C11H7BrClF3N4/c12-10-18-4-6(5-19-10)3-17-7-1-8(11(14,15)16)20-9(13)2-7/h1-2,4-5H,3H2,(H,17,20)
InChIKeyIVVURYBMYOQIQC-UHFFFAOYSA-N
MW367.56 g/mol
LogP3.92
Rot. Bonds3

About N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine

N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 169045945) has the molecular formula C11H7BrClF3N4 and a molecular weight of 367.56 g/mol. Its IUPAC name is N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine
PubChem CID169045945
Molecular FormulaC11H7BrClF3N4
Molecular Weight367.56 g/mol
Exact Mass365.95
IUPAC NameN-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cnc(Br)nc2)cc(Cl)n1
InChIInChI=1S/C11H7BrClF3N4/c12-10-18-4-6(5-19-10)3-17-7-1-8(11(14,15)16)20-9(13)2-7/h1-2,4-5H,3H2,(H,17,20)
InChIKeyIVVURYBMYOQIQC-UHFFFAOYSA-N
XLogP3.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine (CID 169045945) is N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NCc2cnc(Br)nc2)cc(Cl)n1.
What is the InChIKey of N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine?
The InChIKey is IVVURYBMYOQIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N4/c12-10-18-4-6(5-19-10)3-17-7-1-8(11(14,15)16)20-9(13)2-7/h1-2,4-5H,3H2,(H,17,20).
What are the key properties of N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine?
N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 367.56 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromopyrimidin-5-yl)methyl]-2-chloro-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 169045945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).