5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine

C11H12BrN3O — CID 133451900

IUPAC5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(NCc2ncoc2C)ccc1Br
InChIInChI=1S/C11H12BrN3O/c1-7-9(12)3-4-11(15-7)13-5-10-8(2)16-6-14-10/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyKVCBCNCEKQHGDN-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.06
Rot. Bonds3

About 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine

5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine (PubChem CID 133451900) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
PubChem CID133451900
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(NCc2ncoc2C)ccc1Br
InChIInChI=1S/C11H12BrN3O/c1-7-9(12)3-4-11(15-7)13-5-10-8(2)16-6-14-10/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyKVCBCNCEKQHGDN-UHFFFAOYSA-N
XLogP3.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 58338424
5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
CID 115148384
1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone
CID 133451908
5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 103934170
5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine
CID 115148250
5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine
CID 115148399
(2R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]butan-2-ol
CID 126988382
5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine
CID 115148274
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115148277
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061079
[3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol
CID 133451467
N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 114164178

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine (CID 133451900) is 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine is Cc1nc(NCc2ncoc2C)ccc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is KVCBCNCEKQHGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7-9(12)3-4-11(15-7)13-5-10-8(2)16-6-14-10/h3-4,6H,5H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine?
5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 282.14 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 133451900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).