ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate

C12H14N4O3 — CID 23127689

IUPACethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2ccnc(N(C)C)c2n1
InChIInChI=1S/C12H14N4O3/c1-4-19-12(18)8-7-9(17)16-6-5-13-10(15(2)3)11(16)14-8/h5-7H,4H2,1-3H3
InChIKeyKXBJVJIZLAKBNK-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.33
Rot. Bonds3

About ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate

ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate (PubChem CID 23127689) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate
PubChem CID23127689
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Nameethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2ccnc(N(C)C)c2n1
InChIInChI=1S/C12H14N4O3/c1-4-19-12(18)8-7-9(17)16-6-5-13-10(15(2)3)11(16)14-8/h5-7H,4H2,1-3H3
InChIKeyKXBJVJIZLAKBNK-UHFFFAOYSA-N
XLogP0.33
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate (CID 23127689) is ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc(=O)n2ccnc(N(C)C)c2n1.
What is the InChIKey of ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is KXBJVJIZLAKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-4-19-12(18)8-7-9(17)16-6-5-13-10(15(2)3)11(16)14-8/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate?
ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 23127689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).