ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate

C9H12N2O4 — CID 86775671

IUPACethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate
SMILESCCOC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O4/c1-4-15-8(13)6-5-10(2)9(14)11(3)7(6)12/h5H,4H2,1-3H3
InChIKeyNBPWUCASXSGJQX-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.74
Rot. Bonds2

About ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate

ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate (PubChem CID 86775671) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate
PubChem CID86775671
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate
SMILESCCOC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O4/c1-4-15-8(13)6-5-10(2)9(14)11(3)7(6)12/h5H,4H2,1-3H3
InChIKeyNBPWUCASXSGJQX-UHFFFAOYSA-N
XLogP-0.74
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate?
The IUPAC name of ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate (CID 86775671) is ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate is CCOC(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate?
The InChIKey is NBPWUCASXSGJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4-15-8(13)6-5-10(2)9(14)11(3)7(6)12/h5H,4H2,1-3H3.
What are the key properties of ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate?
ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate has a molecular weight of 212.20 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate is sourced from PubChem (CID 86775671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).