4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

C18H25N7O2 — CID 50962400

IUPAC4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1cc(N2CCN(c3cn[nH]c(=O)c3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H25N7O2/c1-2-14-11-16(21-18(20-14)25-7-9-27-10-8-25)24-5-3-23(4-6-24)15-12-17(26)22-19-13-15/h11-13H,2-10H2,1H3,(H,22,26)
InChIKeyKBGFYARLEMNKMV-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.29
Rot. Bonds4

About 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 50962400) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID50962400
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1cc(N2CCN(c3cn[nH]c(=O)c3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H25N7O2/c1-2-14-11-16(21-18(20-14)25-7-9-27-10-8-25)24-5-3-23(4-6-24)15-12-17(26)22-19-13-15/h11-13H,2-10H2,1H3,(H,22,26)
InChIKeyKBGFYARLEMNKMV-UHFFFAOYSA-N
XLogP0.29
TPSA90.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50970168
8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50970181
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
(3S,8aR)-2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137334835
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-methylpiperazine-2-carboxylic acid
CID 95200887
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 72927726
2-[5-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56721548
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 95123943
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 72893953
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (CID 50962400) is 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is CCc1cc(N2CCN(c3cn[nH]c(=O)c3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is KBGFYARLEMNKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-2-14-11-16(21-18(20-14)25-7-9-27-10-8-25)24-5-3-23(4-6-24)15-12-17(26)22-19-13-15/h11-13H,2-10H2,1H3,(H,22,26).
What are the key properties of 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 371.45 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 50962400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).