2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine

C15H18BrN3O — CID 43805886

IUPAC2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2cc(Br)ccc2C)ccc1N
InChIInChI=1S/C15H18BrN3O/c1-3-8-20-15-12(17)6-7-14(19-15)18-13-9-11(16)5-4-10(13)2/h4-7,9H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyFNPBDQIMSKCQCY-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.27
Rot. Bonds5

About 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine

2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine (PubChem CID 43805886) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
PubChem CID43805886
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2cc(Br)ccc2C)ccc1N
InChIInChI=1S/C15H18BrN3O/c1-3-8-20-15-12(17)6-7-14(19-15)18-13-9-11(16)5-4-10(13)2/h4-7,9H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyFNPBDQIMSKCQCY-UHFFFAOYSA-N
XLogP4.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975
2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43805889
2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 65467537
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802693
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
CID 106759477
2-N-(5-bromo-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43555561
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine (CID 43805886) is 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(Nc2cc(Br)ccc2C)ccc1N.
What is the InChIKey of 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is FNPBDQIMSKCQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-8-20-15-12(17)6-7-14(19-15)18-13-9-11(16)5-4-10(13)2/h4-7,9H,3,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine?
2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 336.23 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 43805886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).