4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol

C16H22N6O2 — CID 163352663

IUPAC4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol
SMILESCc1nc(N2CCN(C3COCC3O)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C16H22N6O2/c1-12-18-15(9-16(19-12)22-4-2-3-17-22)21-7-5-20(6-8-21)13-10-24-11-14(13)23/h2-4,9,13-14,23H,5-8,10-11H2,1H3
InChIKeyJVVQUIFQLSFLIR-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.15
Rot. Bonds3

About 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol

4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol (PubChem CID 163352663) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol
PubChem CID163352663
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol
SMILESCc1nc(N2CCN(C3COCC3O)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C16H22N6O2/c1-12-18-15(9-16(19-12)22-4-2-3-17-22)21-7-5-20(6-8-21)13-10-24-11-14(13)23/h2-4,9,13-14,23H,5-8,10-11H2,1H3
InChIKeyJVVQUIFQLSFLIR-UHFFFAOYSA-N
XLogP-0.15
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 121072523
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 165432983
3,3,3-trifluoro-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122337820
4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol
CID 56748397
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337733
1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 163354538
6-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146079870
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56699807
4-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 122337856
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 154883096
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 50944762

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol?
The IUPAC name of 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol (CID 163352663) is 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol is Cc1nc(N2CCN(C3COCC3O)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol?
The InChIKey is JVVQUIFQLSFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-12-18-15(9-16(19-12)22-4-2-3-17-22)21-7-5-20(6-8-21)13-10-24-11-14(13)23/h2-4,9,13-14,23H,5-8,10-11H2,1H3.
What are the key properties of 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol?
4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol has a molecular weight of 330.39 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol is sourced from PubChem (CID 163352663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).