ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate

C9H14N2O4 — CID 86244681

IUPACethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OC)CN=C1OC
InChIInChI=1S/C9H14N2O4/c1-4-15-9(12)7-8(14-3)10-5-6(11-7)13-2/h7H,4-5H2,1-3H3
InChIKeyCWKLRASWCFKTEK-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.02
Rot. Bonds2

About ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate

ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate (PubChem CID 86244681) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate
PubChem CID86244681
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OC)CN=C1OC
InChIInChI=1S/C9H14N2O4/c1-4-15-9(12)7-8(14-3)10-5-6(11-7)13-2/h7H,4-5H2,1-3H3
InChIKeyCWKLRASWCFKTEK-UHFFFAOYSA-N
XLogP0.02
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethoxycarbonyl-2-methyl-2-oxazoline
CID 538229
Methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10844497
ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 10924088
Diethyl 2-isocyanatopropanedioate
CID 101900714
methyl (4S)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 29928452
(2S)-Ethyl-4-methyl-3,5-oxazolinecarboxylate
CID 10953777
Methyl 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 75480505
Ethyl 3,6-diethoxy-5-methyl-2,5-dihydropyrazine-2-carboxylate
CID 342004
(S)-Methyl 2-isopropyl-4,5-dihydrooxazole-4-carboxylate
CID 45096525
Diethyl 2-(1-ethoxyethylideneamino)propanedioate
CID 11481965
Methyl 2-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 12296658
Ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 13103673

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate?
The IUPAC name of ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate (CID 86244681) is ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate?
The canonical SMILES for ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate is CCOC(=O)C1N=C(OC)CN=C1OC.
What is the InChIKey of ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate?
The InChIKey is CWKLRASWCFKTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-4-15-9(12)7-8(14-3)10-5-6(11-7)13-2/h7H,4-5H2,1-3H3.
What are the key properties of ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate?
ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate is sourced from PubChem (CID 86244681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).