3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine

C15H18BrN3 — CID 104506309

IUPAC3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(Nc2ccccc2C(C)C)c1Br
InChIInChI=1S/C15H18BrN3/c1-9(2)11-6-4-5-7-13(11)19-15-14(16)10(3)12(17)8-18-15/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyUIORIXSBNCKIFW-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.60
Rot. Bonds3

About 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine (PubChem CID 104506309) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
PubChem CID104506309
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(Nc2ccccc2C(C)C)c1Br
InChIInChI=1S/C15H18BrN3/c1-9(2)11-6-4-5-7-13(11)19-15-14(16)10(3)12(17)8-18-15/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyUIORIXSBNCKIFW-UHFFFAOYSA-N
XLogP4.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine 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-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 104506339
3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 113420421
3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 104506356
3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 104506329
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80760078
5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
3-bromo-2-N-(4-fluoro-2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 104506600
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-4-chlorobenzonitrile
CID 104507044
3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
CID 104507078
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine
CID 79718663

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine (CID 104506309) is 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine is Cc1c(N)cnc(Nc2ccccc2C(C)C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine?
The InChIKey is UIORIXSBNCKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-9(2)11-6-4-5-7-13(11)19-15-14(16)10(3)12(17)8-18-15/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine has a molecular weight of 320.23 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).