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

C13H20BrN3O — CID 102859445

IUPAC3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
SMILESCc1c(N)cnc(N(CCCO)C2CCC2)c1Br
InChIInChI=1S/C13H20BrN3O/c1-9-11(15)8-16-13(12(9)14)17(6-3-7-18)10-4-2-5-10/h8,10,18H,2-7,15H2,1H3
InChIKeyMFTNAMHOSNKZDK-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.48
Rot. Bonds5

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

3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol (PubChem CID 102859445) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
PubChem CID102859445
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
SMILESCc1c(N)cnc(N(CCCO)C2CCC2)c1Br
InChIInChI=1S/C13H20BrN3O/c1-9-11(15)8-16-13(12(9)14)17(6-3-7-18)10-4-2-5-10/h8,10,18H,2-7,15H2,1H3
InChIKeyMFTNAMHOSNKZDK-UHFFFAOYSA-N
XLogP2.48
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859402
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol
CID 104507687
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 104506524
5-amino-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxamide
CID 102859267
3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 114215177
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875553
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865866
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 104506635

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol (CID 102859445) is 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol is Cc1c(N)cnc(N(CCCO)C2CCC2)c1Br.
What is the InChIKey of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The InChIKey is MFTNAMHOSNKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-11(15)8-16-13(12(9)14)17(6-3-7-18)10-4-2-5-10/h8,10,18H,2-7,15H2,1H3.
What are the key properties of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol has a molecular weight of 314.23 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102859445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).