5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine

C12H11BrClN3O — CID 106998597

IUPAC5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2ccc(C)cc2Cl)ncc1Br
InChIInChI=1S/C12H11BrClN3O/c1-7-3-4-10(9(14)5-7)16-12-15-6-8(13)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyFEDRZBWMQCJTDL-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.95
Rot. Bonds3

About 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine (PubChem CID 106998597) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
PubChem CID106998597
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2ccc(C)cc2Cl)ncc1Br
InChIInChI=1S/C12H11BrClN3O/c1-7-3-4-10(9(14)5-7)16-12-15-6-8(13)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKeyFEDRZBWMQCJTDL-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-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

5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106999086
5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
CID 55252301
5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998767
5-bromo-N-(4-fluoro-2-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998688
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
CID 107616386
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
5-bromo-N-(3-chloro-4-fluorophenyl)-4-methoxypyrimidin-2-amine;5-bromo-2-chloro-4-methoxypyrimidine;3-chloro-4-fluoroaniline
CID 159573224
5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine
CID 59354536
2-(2-chloro-4-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620655
5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
CID 106999041
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine (CID 106998597) is 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine is COc1nc(Nc2ccc(C)cc2Cl)ncc1Br.
What is the InChIKey of 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine?
The InChIKey is FEDRZBWMQCJTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-7-3-4-10(9(14)5-7)16-12-15-6-8(13)11(17-12)18-2/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine has a molecular weight of 328.60 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106998597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).