ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate

C12H18N2O4 — CID 102155559

IUPACethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)NC1CC(C)=O
InChIInChI=1S/C12H18N2O4/c1-5-18-11(16)10-8(3)14(4)12(17)13-9(10)6-7(2)15/h9H,5-6H2,1-4H3,(H,13,17)
InChIKeyOPCMHCUNQSXYPW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.83
Rot. Bonds4

About ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate

ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 102155559) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate
PubChem CID102155559
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)NC1CC(C)=O
InChIInChI=1S/C12H18N2O4/c1-5-18-11(16)10-8(3)14(4)12(17)13-9(10)6-7(2)15/h9H,5-6H2,1-4H3,(H,13,17)
InChIKeyOPCMHCUNQSXYPW-UHFFFAOYSA-N
XLogP0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate (CID 102155559) is ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(C)C(=O)NC1CC(C)=O.
What is the InChIKey of ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is OPCMHCUNQSXYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-18-11(16)10-8(3)14(4)12(17)13-9(10)6-7(2)15/h9H,5-6H2,1-4H3,(H,13,17).
What are the key properties of ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate?
ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dimethyl-2-oxo-6-(2-oxopropyl)-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 102155559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).