7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane

C14H19ClN4O3 — CID 166155965

IUPAC7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane
SMILESCCOC.O=Cc1cn2c(N3CCOCC3)cc(Cl)nc2n1
InChIInChI=1S/C11H11ClN4O2.C3H8O/c12-9-5-10(15-1-3-18-4-2-15)16-6-8(7-17)13-11(16)14-9;1-3-4-2/h5-7H,1-4H2;3H2,1-2H3
InChIKeyPMWZBMDIEVGHCY-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.68
Rot. Bonds3

About 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane

7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane (PubChem CID 166155965) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane
PubChem CID166155965
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane
SMILESCCOC.O=Cc1cn2c(N3CCOCC3)cc(Cl)nc2n1
InChIInChI=1S/C11H11ClN4O2.C3H8O/c12-9-5-10(15-1-3-18-4-2-15)16-6-8(7-17)13-11(16)14-9;1-3-4-2/h5-7H,1-4H2;3H2,1-2H3
InChIKeyPMWZBMDIEVGHCY-UHFFFAOYSA-N
XLogP1.68
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane?
The IUPAC name of 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane (CID 166155965) is 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane.
What is the SMILES notation for 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane?
The canonical SMILES for 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane is CCOC.O=Cc1cn2c(N3CCOCC3)cc(Cl)nc2n1.
What is the InChIKey of 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane?
The InChIKey is PMWZBMDIEVGHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2.C3H8O/c12-9-5-10(15-1-3-18-4-2-15)16-6-8(7-17)13-11(16)14-9;1-3-4-2/h5-7H,1-4H2;3H2,1-2H3.
What are the key properties of 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane?
7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane has a molecular weight of 326.78 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-morpholin-4-ylimidazo[1,2-a]pyrimidine-2-carbaldehyde;methoxyethane is sourced from PubChem (CID 166155965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).