2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol

C9H14BrN3O2 — CID 106184186

IUPAC2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncc(Br)cc1N
InChIInChI=1S/C9H14BrN3O2/c1-15-5-7(4-14)13-9-8(11)2-6(10)3-12-9/h2-3,7,14H,4-5,11H2,1H3,(H,12,13)
InChIKeyLINDIXOAOJKHLW-UHFFFAOYSA-N
MW276.13 g/mol
LogP0.85
Rot. Bonds5

About 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol

2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol (PubChem CID 106184186) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
PubChem CID106184186
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncc(Br)cc1N
InChIInChI=1S/C9H14BrN3O2/c1-15-5-7(4-14)13-9-8(11)2-6(10)3-12-9/h2-3,7,14H,4-5,11H2,1H3,(H,12,13)
InChIKeyLINDIXOAOJKHLW-UHFFFAOYSA-N
XLogP0.85
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 61229631
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106186160
5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
CID 65047155
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564
2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198983
5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine
CID 54963875
5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198768
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184124
3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine
CID 79535461
3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106153927

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol (CID 106184186) is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1ncc(Br)cc1N.
What is the InChIKey of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The InChIKey is LINDIXOAOJKHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-15-5-7(4-14)13-9-8(11)2-6(10)3-12-9/h2-3,7,14H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol?
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol has a molecular weight of 276.13 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106184186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).