[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine

C12H11BrClN3O — CID 83189144

IUPAC[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(Oc2ccc(Br)cc2Cl)ncc1CN
InChIInChI=1S/C12H11BrClN3O/c1-7-8(5-15)6-16-12(17-7)18-11-3-2-9(13)4-10(11)14/h2-4,6H,5,15H2,1H3
InChIKeyRRXFRWTVWGQPKX-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.45
Rot. Bonds3

About [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine

[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83189144) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83189144
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(Oc2ccc(Br)cc2Cl)ncc1CN
InChIInChI=1S/C12H11BrClN3O/c1-7-8(5-15)6-16-12(17-7)18-11-3-2-9(13)4-10(11)14/h2-4,6H,5,15H2,1H3
InChIKeyRRXFRWTVWGQPKX-UHFFFAOYSA-N
XLogP3.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine 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

[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196772
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
[2-(2,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188778
[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 107660009
[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106999555
[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
CID 115487175
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189366
(4-methyl-2-quinolin-8-yloxypyrimidin-5-yl)methanamine
CID 83188918
1-[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83188917
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine (CID 83189144) is [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(Oc2ccc(Br)cc2Cl)ncc1CN.
What is the InChIKey of [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is RRXFRWTVWGQPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-7-8(5-15)6-16-12(17-7)18-11-3-2-9(13)4-10(11)14/h2-4,6H,5,15H2,1H3.
What are the key properties of [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine?
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 328.60 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).