2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine

C16H18BrN3O — CID 63406586

IUPAC2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
SMILESCc1ccc(Nc2ccc(N)c(OCC3CC3)n2)cc1Br
InChIInChI=1S/C16H18BrN3O/c1-10-2-5-12(8-13(10)17)19-15-7-6-14(18)16(20-15)21-9-11-3-4-11/h2,5-8,11H,3-4,9,18H2,1H3,(H,19,20)
InChIKeyXWDLVIIEOLANRO-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.27
Rot. Bonds5

About 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine

2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine (PubChem CID 63406586) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
PubChem CID63406586
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
SMILESCc1ccc(Nc2ccc(N)c(OCC3CC3)n2)cc1Br
InChIInChI=1S/C16H18BrN3O/c1-10-2-5-12(8-13(10)17)19-15-7-6-14(18)16(20-15)21-9-11-3-4-11/h2,5-8,11H,3-4,9,18H2,1H3,(H,19,20)
InChIKeyXWDLVIIEOLANRO-UHFFFAOYSA-N
XLogP4.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopropylmethoxy)-2-N-phenylpyridine-2,5-diamine
CID 43261281
4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile
CID 43261601
2-N-(2-bromo-5-chlorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
CID 81259798
2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
CID 43261742
6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine
CID 43261678
6-(5-bromo-2-methylphenoxy)-2-(cyclopropylmethoxy)pyridin-3-amine
CID 107283325
6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 65246368
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 55118976
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
2-N-(4-chloro-2-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
CID 63402719
6-(cyclopropylmethoxy)-2-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 62323028
2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine
CID 115376297

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine (CID 63406586) is 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine is Cc1ccc(Nc2ccc(N)c(OCC3CC3)n2)cc1Br.
What is the InChIKey of 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine?
The InChIKey is XWDLVIIEOLANRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10-2-5-12(8-13(10)17)19-15-7-6-14(18)16(20-15)21-9-11-3-4-11/h2,5-8,11H,3-4,9,18H2,1H3,(H,19,20).
What are the key properties of 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine?
2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine has a molecular weight of 348.24 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-methylphenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine is sourced from PubChem (CID 63406586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).