1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol

C12H19BrN2O2 — CID 106254505

IUPAC1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccc(Br)c(C)n1
InChIInChI=1S/C12H19BrN2O2/c1-9-10(13)4-5-11(15-9)14-8-12(2,16)6-7-17-3/h4-5,16H,6-8H2,1-3H3,(H,14,15)
InChIKeyZTEBLXITCDHZBB-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.35
Rot. Bonds6

About 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106254505) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106254505
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccc(Br)c(C)n1
InChIInChI=1S/C12H19BrN2O2/c1-9-10(13)4-5-11(15-9)14-8-12(2,16)6-7-17-3/h4-5,16H,6-8H2,1-3H3,(H,14,15)
InChIKeyZTEBLXITCDHZBB-UHFFFAOYSA-N
XLogP2.35
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106254505) is 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1ccc(Br)c(C)n1.
What is the InChIKey of 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is ZTEBLXITCDHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-9-10(13)4-5-11(15-9)14-8-12(2,16)6-7-17-3/h4-5,16H,6-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 303.20 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106254505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).