(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine

C12H12BrN3 — CID 115827119

IUPAC(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine
SMILESCc1cc(Br)ccc1C(N)c1cncnc1
InChIInChI=1S/C12H12BrN3/c1-8-4-10(13)2-3-11(8)12(14)9-5-15-7-16-6-9/h2-7,12H,14H2,1H3
InChIKeyHNUXGAUBZHDCEJ-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.60
Rot. Bonds2

About (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine

(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine (PubChem CID 115827119) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine
PubChem CID115827119
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine
SMILESCc1cc(Br)ccc1C(N)c1cncnc1
InChIInChI=1S/C12H12BrN3/c1-8-4-10(13)2-3-11(8)12(14)9-5-15-7-16-6-9/h2-7,12H,14H2,1H3
InChIKeyHNUXGAUBZHDCEJ-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-methylphenyl)-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

(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
CID 103083620
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
(5-fluoro-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 62492228
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43629713
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735
(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464
1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 82477672
(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873
di(pyrimidin-5-yl)methanamine
CID 102923336

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine (CID 115827119) is (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine is Cc1cc(Br)ccc1C(N)c1cncnc1.
What is the InChIKey of (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine?
The InChIKey is HNUXGAUBZHDCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-4-10(13)2-3-11(8)12(14)9-5-15-7-16-6-9/h2-7,12H,14H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine?
(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine has a molecular weight of 278.15 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115827119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).