3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine

C11H18BrN3O — CID 79535461

IUPAC3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine
SMILESCCCC(COC)Nc1ncc(N)cc1Br
InChIInChI=1S/C11H18BrN3O/c1-3-4-9(7-16-2)15-11-10(12)5-8(13)6-14-11/h5-6,9H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyPBPOAVNKBQUJFC-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.65
Rot. Bonds6

About 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine

3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine (PubChem CID 79535461) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine
PubChem CID79535461
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine
SMILESCCCC(COC)Nc1ncc(N)cc1Br
InChIInChI=1S/C11H18BrN3O/c1-3-4-9(7-16-2)15-11-10(12)5-8(13)6-14-11/h5-6,9H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyPBPOAVNKBQUJFC-UHFFFAOYSA-N
XLogP2.65
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
2-bromo-1-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,4-diamine
CID 114048264
3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106153927
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113765
3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
CID 104827426
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104534857
3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine
CID 114097536
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine (CID 79535461) is 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine is CCCC(COC)Nc1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine?
The InChIKey is PBPOAVNKBQUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-4-9(7-16-2)15-11-10(12)5-8(13)6-14-11/h5-6,9H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine?
3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine has a molecular weight of 288.19 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 79535461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).