diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate

C12H17N3O4 — CID 10492045

IUPACdiethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate
SMILESCCOC(=O)c1cnc(N(C)C)nc1C(=O)OCC
InChIInChI=1S/C12H17N3O4/c1-5-18-10(16)8-7-13-12(15(3)4)14-9(8)11(17)19-6-2/h7H,5-6H2,1-4H3
InChIKeyKXLJWWSDBRLOBN-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.90
Rot. Bonds5

About diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate

diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate (PubChem CID 10492045) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate
PubChem CID10492045
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namediethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate
SMILESCCOC(=O)c1cnc(N(C)C)nc1C(=O)OCC
InChIInChI=1S/C12H17N3O4/c1-5-18-10(16)8-7-13-12(15(3)4)14-9(8)11(17)19-6-2/h7H,5-6H2,1-4H3
InChIKeyKXLJWWSDBRLOBN-UHFFFAOYSA-N
XLogP0.90
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate?
The IUPAC name of diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate (CID 10492045) is diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate is CCOC(=O)c1cnc(N(C)C)nc1C(=O)OCC.
What is the InChIKey of diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate?
The InChIKey is KXLJWWSDBRLOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-5-18-10(16)8-7-13-12(15(3)4)14-9(8)11(17)19-6-2/h7H,5-6H2,1-4H3.
What are the key properties of diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate?
diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate is sourced from PubChem (CID 10492045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).