5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine

C12H20BrN3O — CID 164779678

IUPAC5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine
SMILESCOC(C)c1c(Br)cnc(NC(C)(C)C)c1N
InChIInChI=1S/C12H20BrN3O/c1-7(17-5)9-8(13)6-15-11(10(9)14)16-12(2,3)4/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyFQUANOGQFBUBJB-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine

5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine (PubChem CID 164779678) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine
PubChem CID164779678
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine
SMILESCOC(C)c1c(Br)cnc(NC(C)(C)C)c1N
InChIInChI=1S/C12H20BrN3O/c1-7(17-5)9-8(13)6-15-11(10(9)14)16-12(2,3)4/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyFQUANOGQFBUBJB-UHFFFAOYSA-N
XLogP3.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine (CID 164779678) is 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine is COC(C)c1c(Br)cnc(NC(C)(C)C)c1N.
What is the InChIKey of 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine?
The InChIKey is FQUANOGQFBUBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-7(17-5)9-8(13)6-15-11(10(9)14)16-12(2,3)4/h6-7H,14H2,1-5H3,(H,15,16).
What are the key properties of 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine?
5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine has a molecular weight of 302.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-tert-butyl-4-(1-methoxyethyl)pyridine-2,3-diamine is sourced from PubChem (CID 164779678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).