2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C16H20BrN3O — CID 43805889

IUPAC2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCc1ccc(Br)cc1Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-10-5-6-11(17)9-13(10)19-14-8-7-12(18)15(20-14)21-16(2,3)4/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyITTZZNPYOBBUHI-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.66
Rot. Bonds3

About 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 43805889) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID43805889
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCc1ccc(Br)cc1Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-10-5-6-11(17)9-13(10)19-14-8-7-12(18)15(20-14)21-16(2,3)4/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyITTZZNPYOBBUHI-UHFFFAOYSA-N
XLogP4.66
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
CID 43805886
2-N-(3-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63406117
4-N-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770931
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63403025
2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126652
4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624
2-N-(5-bromo-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43555561
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 63982043
N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80898750
2-N-(3-chloro-4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261733
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 43805889) is 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is Cc1ccc(Br)cc1Nc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is ITTZZNPYOBBUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-10-5-6-11(17)9-13(10)19-14-8-7-12(18)15(20-14)21-16(2,3)4/h5-9H,18H2,1-4H3,(H,19,20).
What are the key properties of 2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-(5-bromo-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 350.26 g/mol, XLogP of 4.66, 3 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-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 43805889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).