5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide

C16H18N4O3 — CID 90653702

IUPAC5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NC(CC)c2cn3cccnc3n2)o1
InChIInChI=1S/C16H18N4O3/c1-3-11(12-10-20-9-5-8-17-16(20)19-12)18-15(21)13-6-7-14(23-13)22-4-2/h5-11H,3-4H2,1-2H3,(H,18,21)
InChIKeyMEWZSXJTUYHDPU-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.60
Rot. Bonds6

About 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide

5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide (PubChem CID 90653702) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
PubChem CID90653702
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NC(CC)c2cn3cccnc3n2)o1
InChIInChI=1S/C16H18N4O3/c1-3-11(12-10-20-9-5-8-17-16(20)19-12)18-15(21)13-6-7-14(23-13)22-4-2/h5-11H,3-4H2,1-2H3,(H,18,21)
InChIKeyMEWZSXJTUYHDPU-UHFFFAOYSA-N
XLogP2.60
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide (CID 90653702) is 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide is CCOc1ccc(C(=O)NC(CC)c2cn3cccnc3n2)o1.
What is the InChIKey of 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide?
The InChIKey is MEWZSXJTUYHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-3-11(12-10-20-9-5-8-17-16(20)19-12)18-15(21)13-6-7-14(23-13)22-4-2/h5-11H,3-4H2,1-2H3,(H,18,21).
What are the key properties of 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide?
5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 90653702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).