methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate

C9H10N4O2 — CID 20703479

IUPACmethyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc(N)c(N)c1C#N
InChIInChI=1S/C9H10N4O2/c1-4-6(9(14)15-2)5(3-10)7(11)8(12)13-4/h11H2,1-2H3,(H2,12,13)
InChIKeyGNEDNEZWYKVXLA-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.21
Rot. Bonds1

About methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate

methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate (PubChem CID 20703479) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate
PubChem CID20703479
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Namemethyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc(N)c(N)c1C#N
InChIInChI=1S/C9H10N4O2/c1-4-6(9(14)15-2)5(3-10)7(11)8(12)13-4/h11H2,1-2H3,(H2,12,13)
InChIKeyGNEDNEZWYKVXLA-UHFFFAOYSA-N
XLogP0.21
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
CID 20703481
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064
methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
CID 45104903
methyl 4-amino-6-benzylsulfanyl-5-cyano-2-methylpyridine-3-carboxylate
CID 44623229
methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
CID 12625134
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
CID 54463519
methyl 3-amino-4-cyano-1,5-dimethylpyrrole-2-carboxylate
CID 15893163
methyl 5-amino-4-bromo-3-cyano-1,2-dimethylpyrrolo[2,3-b]pyridine-6-carboxylate
CID 171820312
methyl 2-amino-4-cyanopyridine-3-carboxylate
CID 130777636
methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 116647606
methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
CID 18175252
methyl 2-amino-3-cyano-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096925

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate (CID 20703479) is methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate is COC(=O)c1c(C)nc(N)c(N)c1C#N.
What is the InChIKey of methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate?
The InChIKey is GNEDNEZWYKVXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-4-6(9(14)15-2)5(3-10)7(11)8(12)13-4/h11H2,1-2H3,(H2,12,13).
What are the key properties of methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate?
methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 20703479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).