methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate

C13H19N3O4 — CID 66285332

IUPACmethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
SMILESCCCN(CC(=O)OCC)c1ccnc(C(=O)OC)n1
InChIInChI=1S/C13H19N3O4/c1-4-8-16(9-11(17)20-5-2)10-6-7-14-12(15-10)13(18)19-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyBZENOMXGBMFOCX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.04
Rot. Bonds7

About methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate

methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate (PubChem CID 66285332) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
PubChem CID66285332
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
SMILESCCCN(CC(=O)OCC)c1ccnc(C(=O)OC)n1
InChIInChI=1S/C13H19N3O4/c1-4-8-16(9-11(17)20-5-2)10-6-7-14-12(15-10)13(18)19-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyBZENOMXGBMFOCX-UHFFFAOYSA-N
XLogP1.04
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate 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 methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate (CID 66285332) is methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate is CCCN(CC(=O)OCC)c1ccnc(C(=O)OC)n1.
What is the InChIKey of methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate?
The InChIKey is BZENOMXGBMFOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-8-16(9-11(17)20-5-2)10-6-7-14-12(15-10)13(18)19-3/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate?
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66285332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).