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

C11H18BrN3O — CID 107151074

IUPAC1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1c(N)cncc1Br
InChIInChI=1S/C11H18BrN3O/c1-7(2)3-8(16)4-15-11-9(12)5-14-6-10(11)13/h5-8,16H,3-4,13H2,1-2H3,(H,14,15)
InChIKeySCZVQMQYIOHHEC-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.25
Rot. Bonds5

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

1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol (PubChem CID 107151074) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
PubChem CID107151074
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1c(N)cncc1Br
InChIInChI=1S/C11H18BrN3O/c1-7(2)3-8(16)4-15-11-9(12)5-14-6-10(11)13/h5-8,16H,3-4,13H2,1-2H3,(H,14,15)
InChIKeySCZVQMQYIOHHEC-UHFFFAOYSA-N
XLogP2.25
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol with MolForge

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Related Compounds

1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide
CID 106166594
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 107151123
1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
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-(3-ethylpentan-2-yl)pyridine-3,4-diamine
CID 103518163
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
CID 103518322
6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
CID 107843957
5-bromo-4-(4-methylpentan-2-yloxy)pyridin-3-amine
CID 103518709
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol (CID 107151074) is 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1c(N)cncc1Br.
What is the InChIKey of 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol?
The InChIKey is SCZVQMQYIOHHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-7(2)3-8(16)4-15-11-9(12)5-14-6-10(11)13/h5-8,16H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol?
1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol has a molecular weight of 288.19 g/mol, XLogP of 2.25, 5 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]-4-methylpentan-2-ol is sourced from PubChem (CID 107151074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).