2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one

C17H20N8O2 — CID 122282634

IUPAC2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H20N8O2/c26-17-3-2-15(24-6-1-4-21-24)22-25(17)7-5-18-14-12-16(20-13-19-14)23-8-10-27-11-9-23/h1-4,6,12-13H,5,7-11H2,(H,18,19,20)
InChIKeyZGCISDYXZBXOIS-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.17
Rot. Bonds6

About 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one

2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 122282634) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID122282634
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H20N8O2/c26-17-3-2-15(24-6-1-4-21-24)22-25(17)7-5-18-14-12-16(20-13-19-14)23-8-10-27-11-9-23/h1-4,6,12-13H,5,7-11H2,(H,18,19,20)
InChIKeyZGCISDYXZBXOIS-UHFFFAOYSA-N
XLogP0.17
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
6-piperidin-1-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 133280938
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
5-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126916272
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327950
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101017
2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916136
2-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916132
2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192684

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one (CID 122282634) is 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one is O=c1ccc(-n2cccn2)nn1CCNc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is ZGCISDYXZBXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c26-17-3-2-15(24-6-1-4-21-24)22-25(17)7-5-18-14-12-16(20-13-19-14)23-8-10-27-11-9-23/h1-4,6,12-13H,5,7-11H2,(H,18,19,20).
What are the key properties of 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 368.40 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 122282634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).