[7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone

C17H24N8O2 — CID 139292793

IUPAC[7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone
SMILESC/C=N/Nc1cc2nc(C(=O)N3CCNCC3)cn2c(N2CCOCC2)n1
InChIInChI=1S/C17H24N8O2/c1-2-19-22-14-11-15-20-13(16(26)23-5-3-18-4-6-23)12-25(15)17(21-14)24-7-9-27-10-8-24/h2,11-12,18,22H,3-10H2,1H3/b19-2+
InChIKeyPSVSZFSIYKITBD-FQJNFEMKSA-N
MW372.43 g/mol
LogP0.03
Rot. Bonds4

About [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone

[7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 139292793) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone
PubChem CID139292793
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name[7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone
SMILESC/C=N/Nc1cc2nc(C(=O)N3CCNCC3)cn2c(N2CCOCC2)n1
InChIInChI=1S/C17H24N8O2/c1-2-19-22-14-11-15-20-13(16(26)23-5-3-18-4-6-23)12-25(15)17(21-14)24-7-9-27-10-8-24/h2,11-12,18,22H,3-10H2,1H3/b19-2+
InChIKeyPSVSZFSIYKITBD-FQJNFEMKSA-N
XLogP0.03
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone (CID 139292793) is [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone is C/C=N/Nc1cc2nc(C(=O)N3CCNCC3)cn2c(N2CCOCC2)n1.
What is the InChIKey of [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is PSVSZFSIYKITBD-FQJNFEMKSA-N. The full InChI is InChI=1S/C17H24N8O2/c1-2-19-22-14-11-15-20-13(16(26)23-5-3-18-4-6-23)12-25(15)17(21-14)24-7-9-27-10-8-24/h2,11-12,18,22H,3-10H2,1H3/b19-2+.
What are the key properties of [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone?
[7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 372.43 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 139292793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).