diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate

C11H15N3O4 — CID 10106296

IUPACdiethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(N)c(C)c(C(=O)OCC)n1
InChIInChI=1S/C11H15N3O4/c1-4-17-10(15)7-6(3)8(12)14-9(13-7)11(16)18-5-2/h4-5H2,1-3H3,(H2,12,13,14)
InChIKeyNPSZTDLDJAZSKV-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.72
Rot. Bonds4

About diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate

diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate (PubChem CID 10106296) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate
PubChem CID10106296
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namediethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(N)c(C)c(C(=O)OCC)n1
InChIInChI=1S/C11H15N3O4/c1-4-17-10(15)7-6(3)8(12)14-9(13-7)11(16)18-5-2/h4-5H2,1-3H3,(H2,12,13,14)
InChIKeyNPSZTDLDJAZSKV-UHFFFAOYSA-N
XLogP0.72
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate?
The IUPAC name of diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate (CID 10106296) is diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate?
The canonical SMILES for diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate is CCOC(=O)c1nc(N)c(C)c(C(=O)OCC)n1.
What is the InChIKey of diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate?
The InChIKey is NPSZTDLDJAZSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-4-17-10(15)7-6(3)8(12)14-9(13-7)11(16)18-5-2/h4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate?
diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-amino-5-methylpyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 10106296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).