ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate

C10H16N2O3 — CID 102408070

IUPACethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)N(C)C(C)N1C
InChIInChI=1S/C10H16N2O3/c1-5-15-10(14)8-6-9(13)12(4)7(2)11(8)3/h6-7H,5H2,1-4H3
InChIKeyIQCDFTZKEISEKD-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.18
Rot. Bonds2

About ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate

ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate (PubChem CID 102408070) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate
PubChem CID102408070
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)N(C)C(C)N1C
InChIInChI=1S/C10H16N2O3/c1-5-15-10(14)8-6-9(13)12(4)7(2)11(8)3/h6-7H,5H2,1-4H3
InChIKeyIQCDFTZKEISEKD-UHFFFAOYSA-N
XLogP0.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate?
The IUPAC name of ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate (CID 102408070) is ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate is CCOC(=O)C1=CC(=O)N(C)C(C)N1C.
What is the InChIKey of ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate?
The InChIKey is IQCDFTZKEISEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-15-10(14)8-6-9(13)12(4)7(2)11(8)3/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate?
ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3-trimethyl-6-oxo-2H-pyrimidine-4-carboxylate is sourced from PubChem (CID 102408070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).