[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C17H22N6O2 — CID 51867950

IUPAC[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H22N6O2/c1-13-19-15(12-16(20-13)23-6-3-5-18-23)21-7-9-22(10-8-21)17(24)14-4-2-11-25-14/h3,5-6,12,14H,2,4,7-11H2,1H3/t14-/m0/s1
InChIKeyPESLAZBATVJEGA-AWEZNQCLSA-N
MW342.40 g/mol
LogP0.80
Rot. Bonds3

About [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 51867950) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID51867950
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H22N6O2/c1-13-19-15(12-16(20-13)23-6-3-5-18-23)21-7-9-22(10-8-21)17(24)14-4-2-11-25-14/h3,5-6,12,14H,2,4,7-11H2,1H3/t14-/m0/s1
InChIKeyPESLAZBATVJEGA-AWEZNQCLSA-N
XLogP0.80
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 51867950) is [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is Cc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is PESLAZBATVJEGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13-19-15(12-16(20-13)23-6-3-5-18-23)21-7-9-22(10-8-21)17(24)14-4-2-11-25-14/h3,5-6,12,14H,2,4,7-11H2,1H3/t14-/m0/s1.
What are the key properties of [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 51867950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).