N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C13H22N4O2 — CID 136879059

IUPACN-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C13H22N4O2/c1-3-16(8-9-19-4-2)12(18)11-10-17-7-5-6-14-13(17)15-11/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyGGAPWGAEKGDBPG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.20
Rot. Bonds6

About N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136879059) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136879059
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C13H22N4O2/c1-3-16(8-9-19-4-2)12(18)11-10-17-7-5-6-14-13(17)15-11/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyGGAPWGAEKGDBPG-UHFFFAOYSA-N
XLogP1.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136879059) is N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is CCOCCN(CC)C(=O)c1cn2c(n1)NCCC2.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is GGAPWGAEKGDBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-16(8-9-19-4-2)12(18)11-10-17-7-5-6-14-13(17)15-11/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136879059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).