2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C18H20N8O2 — CID 121086865

IUPAC2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1ccnc(OCC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)n1
InChIInChI=1S/C18H20N8O2/c1-14-3-5-19-18(23-14)28-12-17(27)25-9-7-24(8-10-25)15-11-16(21-13-20-15)26-6-2-4-22-26/h2-6,11,13H,7-10,12H2,1H3
InChIKeyOEGYWACLHKLYDH-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.49
Rot. Bonds5

About 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 121086865) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID121086865
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1ccnc(OCC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)n1
InChIInChI=1S/C18H20N8O2/c1-14-3-5-19-18(23-14)28-12-17(27)25-9-7-24(8-10-25)15-11-16(21-13-20-15)26-6-2-4-22-26/h2-6,11,13H,7-10,12H2,1H3
InChIKeyOEGYWACLHKLYDH-UHFFFAOYSA-N
XLogP0.49
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086870
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086767
2-(3-methylphenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337223
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 122349377
2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 122337316
1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086723
2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337187
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122338976
(3,4-dimethylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700193
N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001582
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
2-(2-fluorophenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122344765

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 121086865) is 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is Cc1ccnc(OCC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is OEGYWACLHKLYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-14-3-5-19-18(23-14)28-12-17(27)25-9-7-24(8-10-25)15-11-16(21-13-20-15)26-6-2-4-22-26/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 380.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 121086865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).