1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol

C11H18BrN3O2 — CID 113420435

IUPAC1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-7-9(13)4-14-11(10(7)12)15(2)5-8(16)6-17-3/h4,8,16H,5-6,13H2,1-3H3
InChIKeyBBGAUTNKVSRANR-UHFFFAOYSA-N
MW304.19 g/mol
LogP1.18
Rot. Bonds5

About 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol

1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 113420435) has the molecular formula C11H18BrN3O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
PubChem CID113420435
Molecular FormulaC11H18BrN3O2
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-7-9(13)4-14-11(10(7)12)15(2)5-8(16)6-17-3/h4,8,16H,5-6,13H2,1-3H3
InChIKeyBBGAUTNKVSRANR-UHFFFAOYSA-N
XLogP1.18
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 104506622
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104506894
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
CID 104506952
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 80632443
1-[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 80630791
5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598
1-(2-amino-4-bromo-5-fluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 66109747
1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 63729834

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol (CID 113420435) is 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1ncc(N)c(C)c1Br.
What is the InChIKey of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is BBGAUTNKVSRANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2/c1-7-9(13)4-14-11(10(7)12)15(2)5-8(16)6-17-3/h4,8,16H,5-6,13H2,1-3H3.
What are the key properties of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol?
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 304.19 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 113420435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).