5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine

C14H15BrFN3 — CID 66307404

IUPAC5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cccc(F)c2)nc(N)c1Br
InChIInChI=1S/C14H15BrFN3/c1-14(2,3)11-10(15)12(17)19-13(18-11)8-5-4-6-9(16)7-8/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyDPSCKGPLAYPHIM-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.92
Rot. Bonds1

About 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine

5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine (PubChem CID 66307404) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
PubChem CID66307404
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cccc(F)c2)nc(N)c1Br
InChIInChI=1S/C14H15BrFN3/c1-14(2,3)11-10(15)12(17)19-13(18-11)8-5-4-6-9(16)7-8/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyDPSCKGPLAYPHIM-UHFFFAOYSA-N
XLogP3.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine (CID 66307404) is 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine is CC(C)(C)c1nc(-c2cccc(F)c2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine?
The InChIKey is DPSCKGPLAYPHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-14(2,3)11-10(15)12(17)19-13(18-11)8-5-4-6-9(16)7-8/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66307404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).