4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine

C13H13BrFN3O — CID 114677390

IUPAC4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3O/c1-2-6-16-13-17-7-5-12(18-13)19-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyKSARUMVWMRZOSL-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.99
Rot. Bonds5

About 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine

4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 114677390) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
PubChem CID114677390
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3O/c1-2-6-16-13-17-7-5-12(18-13)19-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyKSARUMVWMRZOSL-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
CID 114677310
4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80860263
4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80875389
4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine
CID 82825921
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
CID 80881519
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80878871

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine (CID 114677390) is 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine is CCCNc1nccc(Oc2cc(Br)ccc2F)n1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is KSARUMVWMRZOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-2-6-16-13-17-7-5-12(18-13)19-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine?
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 326.17 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 114677390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).