2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine

C15H18BrN3O — CID 107633622

IUPAC2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCc1c(Br)cccc1Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C15H18BrN3O/c1-9(2)20-15-12(17)7-8-14(19-15)18-13-6-4-5-11(16)10(13)3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyBDMYOMORBZWTDX-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.27
Rot. Bonds4

About 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 107633622) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID107633622
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCc1c(Br)cccc1Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C15H18BrN3O/c1-9(2)20-15-12(17)7-8-14(19-15)18-13-6-4-5-11(16)10(13)3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyBDMYOMORBZWTDX-UHFFFAOYSA-N
XLogP4.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

6-propan-2-yloxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261404
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81262204
2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261575
4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107633687
2-N-(3,5-dimethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261617
2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63403025
2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81287060
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
2-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 82798611
2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261396
2-N-(3-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63406117
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 107633622) is 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine is Cc1c(Br)cccc1Nc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is BDMYOMORBZWTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9(2)20-15-12(17)7-8-14(19-15)18-13-6-4-5-11(16)10(13)3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 336.23 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 107633622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).