tert-butyl 2,5-diaminopyridine-3-carboxylate

C10H15N3O2 — CID 133055490

IUPACtert-butyl 2,5-diaminopyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(N)cnc1N
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-6(11)5-13-8(7)12/h4-5H,11H2,1-3H3,(H2,12,13)
InChIKeyRZFSZLQEEIOQBS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.20
Rot. Bonds1

About tert-butyl 2,5-diaminopyridine-3-carboxylate

tert-butyl 2,5-diaminopyridine-3-carboxylate (PubChem CID 133055490) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is tert-butyl 2,5-diaminopyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-diaminopyridine-3-carboxylate
PubChem CID133055490
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nametert-butyl 2,5-diaminopyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(N)cnc1N
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-6(11)5-13-8(7)12/h4-5H,11H2,1-3H3,(H2,12,13)
InChIKeyRZFSZLQEEIOQBS-UHFFFAOYSA-N
XLogP1.20
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2,5-diaminopyridine-3-carboxylate 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

tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate
CID 133060838
tert-butyl 5-amino-3-iodopyridine-2-carboxylate
CID 133060051
tert-butyl 6-amino-5-methylpyridine-3-carboxylate
CID 135394582
ditert-butyl 6-amino-5-phenylpyridine-3,4-dicarboxylate
CID 122604116
tert-butyl 5-amino-1,2-oxazole-4-carboxylate
CID 131213702
ditert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 24728886
2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 56923796
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880
4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
CID 175130774
tert-butyl 5-amino-2,4-dimethylbenzoate
CID 102706046

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-diaminopyridine-3-carboxylate?
The IUPAC name of tert-butyl 2,5-diaminopyridine-3-carboxylate (CID 133055490) is tert-butyl 2,5-diaminopyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,5-diaminopyridine-3-carboxylate?
The canonical SMILES for tert-butyl 2,5-diaminopyridine-3-carboxylate is CC(C)(C)OC(=O)c1cc(N)cnc1N.
What is the InChIKey of tert-butyl 2,5-diaminopyridine-3-carboxylate?
The InChIKey is RZFSZLQEEIOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)7-4-6(11)5-13-8(7)12/h4-5H,11H2,1-3H3,(H2,12,13).
What are the key properties of tert-butyl 2,5-diaminopyridine-3-carboxylate?
tert-butyl 2,5-diaminopyridine-3-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-diaminopyridine-3-carboxylate is sourced from PubChem (CID 133055490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).