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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-(1-methoxyethyl)-2-methylpyridin-3-amine
CID 155202049
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
CID 76847706
3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
CID 104827426
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-2-(1-methoxyethyl)-1H-pyrimidine-6-thione
CID 106480940
1-[6-(tert-butylamino)-5-methoxy-4-(1-methoxyethyl)-3-pyridinyl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 155202202
4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine
CID 82456109
4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540214
3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine
CID 130114720

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).