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

C15H18BrN3O2 — CID 63403025

IUPAC2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCOc1ccc(Br)cc1Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C15H18BrN3O2/c1-9(2)21-15-11(17)5-7-14(19-15)18-12-8-10(16)4-6-13(12)20-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyIKLIORVCHLUJLV-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.97
Rot. Bonds5

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

2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 63403025) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID63403025
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCOc1ccc(Br)cc1Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C15H18BrN3O2/c1-9(2)21-15-11(17)5-7-14(19-15)18-12-8-10(16)4-6-13(12)20-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyIKLIORVCHLUJLV-UHFFFAOYSA-N
XLogP3.97
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81287060
2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261575
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81262204
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
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696
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
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717970
2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261396

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 63403025) is 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine is COc1ccc(Br)cc1Nc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is IKLIORVCHLUJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9(2)21-15-11(17)5-7-14(19-15)18-12-8-10(16)4-6-13(12)20-3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 352.23 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 63403025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).