1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide

C13H21N5O2 — CID 115975420

IUPAC1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nccc(OCC)n1
InChIInChI=1S/C13H21N5O2/c1-3-15-12(19)10-9-14-7-8-18(10)13-16-6-5-11(17-13)20-4-2/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,15,19)
InChIKeyLITLTYRJYDBXLT-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.21
Rot. Bonds5

About 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide

1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide (PubChem CID 115975420) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
PubChem CID115975420
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nccc(OCC)n1
InChIInChI=1S/C13H21N5O2/c1-3-15-12(19)10-9-14-7-8-18(10)13-16-6-5-11(17-13)20-4-2/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,15,19)
InChIKeyLITLTYRJYDBXLT-UHFFFAOYSA-N
XLogP-0.21
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide 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 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide (CID 115975420) is 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1nccc(OCC)n1.
What is the InChIKey of 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is LITLTYRJYDBXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-15-12(19)10-9-14-7-8-18(10)13-16-6-5-11(17-13)20-4-2/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,15,19).
What are the key properties of 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 115975420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).