(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine

C11H9BrFN3 — CID 106647995

IUPAC(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
SMILESNC(c1cncnc1)c1cccc(Br)c1F
InChIInChI=1S/C11H9BrFN3/c12-9-3-1-2-8(10(9)13)11(14)7-4-15-6-16-5-7/h1-6,11H,14H2
InChIKeyFFZRWCCHJGNILS-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.43
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine

(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine (PubChem CID 106647995) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
PubChem CID106647995
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
SMILESNC(c1cncnc1)c1cccc(Br)c1F
InChIInChI=1S/C11H9BrFN3/c12-9-3-1-2-8(10(9)13)11(14)7-4-15-6-16-5-7/h1-6,11H,14H2
InChIKeyFFZRWCCHJGNILS-UHFFFAOYSA-N
XLogP2.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine 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

(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine
CID 106645940
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279
(3-bromo-2-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 106647644
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine
CID 106648228
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine (CID 106647995) is (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine is NC(c1cncnc1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine?
The InChIKey is FFZRWCCHJGNILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-9-3-1-2-8(10(9)13)11(14)7-4-15-6-16-5-7/h1-6,11H,14H2.
What are the key properties of (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine?
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine has a molecular weight of 282.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 106647995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).