2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine

C16H20BrN3O — CID 81287060

IUPAC2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCCc1cc(Br)ccc1Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-4-11-9-12(17)5-7-14(11)19-15-8-6-13(18)16(20-15)21-10(2)3/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyZAHZFUHUYOJORM-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.52
Rot. Bonds5

About 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 81287060) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID81287060
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCCc1cc(Br)ccc1Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-4-11-9-12(17)5-7-14(11)19-15-8-6-13(18)16(20-15)21-10(2)3/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyZAHZFUHUYOJORM-UHFFFAOYSA-N
XLogP4.52
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63403025
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-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 81289211
2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107633622
2-N-(3,5-dimethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261617
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975
N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine
CID 81287353
6-propan-2-yloxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261404
2-N-(5-bromo-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43555561
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64630804

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 81287060) is 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine is CCc1cc(Br)ccc1Nc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is ZAHZFUHUYOJORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-11-9-12(17)5-7-14(11)19-15-8-6-13(18)16(20-15)21-10(2)3/h5-10H,4,18H2,1-3H3,(H,19,20).
What are the key properties of 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 350.26 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 81287060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).