1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol

C8H12BrN3O — CID 103517707

IUPAC1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1c(N)cncc1Br
InChIInChI=1S/C8H12BrN3O/c1-5(13)2-12-8-6(9)3-11-4-7(8)10/h3-5,13H,2,10H2,1H3,(H,11,12)
InChIKeyWEPUMUPLRTVZNT-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.22
Rot. Bonds3

About 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol

1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol (PubChem CID 103517707) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
PubChem CID103517707
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1c(N)cncc1Br
InChIInChI=1S/C8H12BrN3O/c1-5(13)2-12-8-6(9)3-11-4-7(8)10/h3-5,13H,2,10H2,1H3,(H,11,12)
InChIKeyWEPUMUPLRTVZNT-UHFFFAOYSA-N
XLogP1.22
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151074
3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide
CID 106166594
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
5-[(3-amino-5-bromo-4-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154442
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564
6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
CID 107843957
5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
CID 103518163
5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
CID 103518322
5-bromo-4-N-but-3-en-2-ylpyridine-3,4-diamine
CID 103518485
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol (CID 103517707) is 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol is CC(O)CNc1c(N)cncc1Br.
What is the InChIKey of 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol?
The InChIKey is WEPUMUPLRTVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-5(13)2-12-8-6(9)3-11-4-7(8)10/h3-5,13H,2,10H2,1H3,(H,11,12).
What are the key properties of 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol?
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol has a molecular weight of 246.11 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 103517707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).