2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol

C11H16BrN3O — CID 103518565

IUPAC2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
SMILESNc1cncc(Br)c1NCC1(CCO)CC1
InChIInChI=1S/C11H16BrN3O/c12-8-5-14-6-9(13)10(8)15-7-11(1-2-11)3-4-16/h5-6,16H,1-4,7,13H2,(H,14,15)
InChIKeyUAUAPKYOJGDKRZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol (PubChem CID 103518565) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
PubChem CID103518565
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
SMILESNc1cncc(Br)c1NCC1(CCO)CC1
InChIInChI=1S/C11H16BrN3O/c12-8-5-14-6-9(13)10(8)15-7-11(1-2-11)3-4-16/h5-6,16H,1-4,7,13H2,(H,14,15)
InChIKeyUAUAPKYOJGDKRZ-UHFFFAOYSA-N
XLogP2.00
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

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
2-[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]ethanol
CID 114755776
5-bromo-4-N-[(1-methylsulfanylcyclohexyl)methyl]pyridine-3,4-diamine
CID 114115717
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyrazine-2-carboxamide
CID 133496605
2-[1-[[(3-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755799
5-[(3-amino-5-bromo-4-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154442

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol (CID 103518565) is 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol is Nc1cncc(Br)c1NCC1(CCO)CC1.
What is the InChIKey of 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is UAUAPKYOJGDKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-8-5-14-6-9(13)10(8)15-7-11(1-2-11)3-4-16/h5-6,16H,1-4,7,13H2,(H,14,15).
What are the key properties of 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 286.17 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 103518565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).