N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide

C14H22N6O3 — CID 629501

IUPACN'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide
SMILESCC(=O)NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H22N6O3/c1-11(21)17-18-12-10-13(19-2-6-22-7-3-19)16-14(15-12)20-4-8-23-9-5-20/h10H,2-9H2,1H3,(H,17,21)(H,15,16,18)
InChIKeyQWUAGIRGSYRVRU-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.39
Rot. Bonds4

About N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide

N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide (PubChem CID 629501) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide
PubChem CID629501
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC NameN'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide
SMILESCC(=O)NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H22N6O3/c1-11(21)17-18-12-10-13(19-2-6-22-7-3-19)16-14(15-12)20-4-8-23-9-5-20/h10H,2-9H2,1H3,(H,17,21)(H,15,16,18)
InChIKeyQWUAGIRGSYRVRU-UHFFFAOYSA-N
XLogP-0.39
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide?
The IUPAC name of N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide (CID 629501) is N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide?
The canonical SMILES for N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide is CC(=O)NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide?
The InChIKey is QWUAGIRGSYRVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3/c1-11(21)17-18-12-10-13(19-2-6-22-7-3-19)16-14(15-12)20-4-8-23-9-5-20/h10H,2-9H2,1H3,(H,17,21)(H,15,16,18).
What are the key properties of N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide?
N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide has a molecular weight of 322.37 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 629501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).