N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine

C10H6BrF3N4 — CID 131734586

IUPACN-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cccc(Br)n2)n1
InChIInChI=1S/C10H6BrF3N4/c11-7-2-1-3-8(17-7)18-9-15-5-4-6(16-9)10(12,13)14/h1-5H,(H,15,16,17,18)
InChIKeyOTCFNZKLSDSBLA-UHFFFAOYSA-N
MW319.08 g/mol
LogP3.40
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 131734586) has the molecular formula C10H6BrF3N4 and a molecular weight of 319.08 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID131734586
Molecular FormulaC10H6BrF3N4
Molecular Weight319.08 g/mol
Exact Mass317.97
IUPAC NameN-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cccc(Br)n2)n1
InChIInChI=1S/C10H6BrF3N4/c11-7-2-1-3-8(17-7)18-9-15-5-4-6(16-9)10(12,13)14/h1-5H,(H,15,16,17,18)
InChIKeyOTCFNZKLSDSBLA-UHFFFAOYSA-N
XLogP3.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.08
LogP ≤ 53.40
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-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 131734586) is N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(Nc2cccc(Br)n2)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OTCFNZKLSDSBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N4/c11-7-2-1-3-8(17-7)18-9-15-5-4-6(16-9)10(12,13)14/h1-5H,(H,15,16,17,18).
What are the key properties of N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 319.08 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 131734586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).