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

C14H16BrN3O — CID 43261575

IUPAC2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2cccc(Br)c2)ccc1N
InChIInChI=1S/C14H16BrN3O/c1-9(2)19-14-12(16)6-7-13(18-14)17-11-5-3-4-10(15)8-11/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyQXRNNTHKJGBTIX-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.96
Rot. Bonds4

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

2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 43261575) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID43261575
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2cccc(Br)c2)ccc1N
InChIInChI=1S/C14H16BrN3O/c1-9(2)19-14-12(16)6-7-13(18-14)17-11-5-3-4-10(15)8-11/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyQXRNNTHKJGBTIX-UHFFFAOYSA-N
XLogP3.96
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107633622
2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81287060
2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 65475242
2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261396
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81262204
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
6-propan-2-yloxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261404
6-methoxy-2-N-(3-methoxyphenyl)pyridine-2,5-diamine
CID 43261675
2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 83077911
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 43261575) is 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(Nc2cccc(Br)c2)ccc1N.
What is the InChIKey of 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is QXRNNTHKJGBTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(2)19-14-12(16)6-7-13(18-14)17-11-5-3-4-10(15)8-11/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 322.21 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 43261575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).