5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine

C14H16BrN3O — CID 103174438

IUPAC5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
SMILESCCc1nc(C)ccc1Oc1ncc(N)c(C)c1Br
InChIInChI=1S/C14H16BrN3O/c1-4-11-12(6-5-8(2)18-11)19-14-13(15)9(3)10(16)7-17-14/h5-7H,4,16H2,1-3H3
InChIKeyDKRBBIHAKKMIGE-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.79
Rot. Bonds3

About 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine

5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine (PubChem CID 103174438) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
PubChem CID103174438
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
SMILESCCc1nc(C)ccc1Oc1ncc(N)c(C)c1Br
InChIInChI=1S/C14H16BrN3O/c1-4-11-12(6-5-8(2)18-11)19-14-13(15)9(3)10(16)7-17-14/h5-7H,4,16H2,1-3H3
InChIKeyDKRBBIHAKKMIGE-UHFFFAOYSA-N
XLogP3.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107712102
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103175419
N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
CID 103175461
5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine
CID 107089413
3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 114062657
5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 104507370
4-ethoxy-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 103176391
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 103176295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine (CID 103174438) is 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine is CCc1nc(C)ccc1Oc1ncc(N)c(C)c1Br.
What is the InChIKey of 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine?
The InChIKey is DKRBBIHAKKMIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-11-12(6-5-8(2)18-11)19-14-13(15)9(3)10(16)7-17-14/h5-7H,4,16H2,1-3H3.
What are the key properties of 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine?
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine has a molecular weight of 322.21 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine is sourced from PubChem (CID 103174438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).