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

C9H14BrN3O — CID 61229631

IUPAC5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
SMILESCOCC(C)Nc1ncc(Br)cc1N
InChIInChI=1S/C9H14BrN3O/c1-6(5-14-2)13-9-8(11)3-7(10)4-12-9/h3-4,6H,5,11H2,1-2H3,(H,12,13)
InChIKeyKQUYZFXAMXTXOZ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.87
Rot. Bonds4

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

5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine (PubChem CID 61229631) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
PubChem CID61229631
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
SMILESCOCC(C)Nc1ncc(Br)cc1N
InChIInChI=1S/C9H14BrN3O/c1-6(5-14-2)13-9-8(11)3-7(10)4-12-9/h3-4,6H,5,11H2,1-2H3,(H,12,13)
InChIKeyKQUYZFXAMXTXOZ-UHFFFAOYSA-N
XLogP1.87
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
CID 65047155
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
3-N-[(2R)-1-methoxypropan-2-yl]pyrazine-2,3-diamine
CID 131106371
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
5-bromo-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 106215700
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62236680
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710
5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine
CID 54963875
5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine
CID 106233126
2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine
CID 61147534
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
CID 81438845

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine (CID 61229631) is 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine is COCC(C)Nc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine?
The InChIKey is KQUYZFXAMXTXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-6(5-14-2)13-9-8(11)3-7(10)4-12-9/h3-4,6H,5,11H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine?
5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine has a molecular weight of 260.13 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 61229631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).