5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine

C12H17BrN2O — CID 79717768

IUPAC5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)C1CCCO1
InChIInChI=1S/C12H17BrN2O/c1-8-6-10(13)7-14-12(8)15-9(2)11-4-3-5-16-11/h6-7,9,11H,3-5H2,1-2H3,(H,14,15)
InChIKeySDPUVLBEFUZLMT-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.13
Rot. Bonds3

About 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine

5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine (PubChem CID 79717768) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
PubChem CID79717768
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)C1CCCO1
InChIInChI=1S/C12H17BrN2O/c1-8-6-10(13)7-14-12(8)15-9(2)11-4-3-5-16-11/h6-7,9,11H,3-5H2,1-2H3,(H,14,15)
InChIKeySDPUVLBEFUZLMT-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780776
5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile
CID 54860605
2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 55043444
2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79632789
5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine
CID 106660284
2-chloro-5-fluoro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081832
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine
CID 65337393
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80780884
N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79713637
5-iodo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956097
4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
CID 82236284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine (CID 79717768) is 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine is Cc1cc(Br)cnc1NC(C)C1CCCO1.
What is the InChIKey of 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is SDPUVLBEFUZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-6-10(13)7-14-12(8)15-9(2)11-4-3-5-16-11/h6-7,9,11H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine?
5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 285.19 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 79717768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).