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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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).