ethyl 5,6-diamino-2-methylpyridine-3-carboxylate

C9H13N3O2 — CID 170959467

IUPACethyl 5,6-diamino-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)c(N)nc1C
InChIInChI=1S/C9H13N3O2/c1-3-14-9(13)6-4-7(10)8(11)12-5(6)2/h4H,3,10H2,1-2H3,(H2,11,12)
InChIKeyWFVMTERESYTRMA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.73
Rot. Bonds2

About ethyl 5,6-diamino-2-methylpyridine-3-carboxylate

ethyl 5,6-diamino-2-methylpyridine-3-carboxylate (PubChem CID 170959467) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 5,6-diamino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-diamino-2-methylpyridine-3-carboxylate
PubChem CID170959467
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 5,6-diamino-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)c(N)nc1C
InChIInChI=1S/C9H13N3O2/c1-3-14-9(13)6-4-7(10)8(11)12-5(6)2/h4H,3,10H2,1-2H3,(H2,11,12)
InChIKeyWFVMTERESYTRMA-UHFFFAOYSA-N
XLogP0.73
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
CID 102172176
diethyl 4-amino-5-hydroxybenzene-1,2-dicarboxylate
CID 19800643
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 4,5-diamino-2-cyanobenzoate
CID 134651440
[(5-ethoxycarbonyl-2,6-dimethylpyridine-3-carbonyl)amino]carbamodithioic acid
CID 21238993
ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934
ethyl 3-(5,6-diamino-2-methyl-3-pyridinyl)prop-2-enoate
CID 169480433
ethyl 6-bromo-3-methylpyridazine-4-carboxylate
CID 162520168
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
ethyl 2-(4-amino-3-methylphenoxy)-4-methylpyrimidine-5-carboxylate
CID 83179221
diethyl phthalazine-6,7-dicarboxylate
CID 13115748

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-diamino-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5,6-diamino-2-methylpyridine-3-carboxylate (CID 170959467) is ethyl 5,6-diamino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5,6-diamino-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5,6-diamino-2-methylpyridine-3-carboxylate is CCOC(=O)c1cc(N)c(N)nc1C.
What is the InChIKey of ethyl 5,6-diamino-2-methylpyridine-3-carboxylate?
The InChIKey is WFVMTERESYTRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-14-9(13)6-4-7(10)8(11)12-5(6)2/h4H,3,10H2,1-2H3,(H2,11,12).
What are the key properties of ethyl 5,6-diamino-2-methylpyridine-3-carboxylate?
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-diamino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 170959467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).