4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol

C14H19N5O2 — CID 56748397

IUPAC4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1nc(N2CCC(O)(CO)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C14H19N5O2/c1-11-16-12(9-13(17-11)19-6-2-5-15-19)18-7-3-14(21,10-20)4-8-18/h2,5-6,9,20-21H,3-4,7-8,10H2,1H3
InChIKeyZCIXWTRDKYVOON-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.29
Rot. Bonds3

About 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol

4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 56748397) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol
PubChem CID56748397
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1nc(N2CCC(O)(CO)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C14H19N5O2/c1-11-16-12(9-13(17-11)19-6-2-5-15-19)18-7-3-14(21,10-20)4-8-18/h2,5-6,9,20-21H,3-4,7-8,10H2,1H3
InChIKeyZCIXWTRDKYVOON-UHFFFAOYSA-N
XLogP0.29
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 163354538
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 121072523
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 165432983
3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56699807
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 122337670
3,3,3-trifluoro-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122337820
2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163346366
4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol
CID 163352663
4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 166605280
6-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146079870
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol (CID 56748397) is 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol is Cc1nc(N2CCC(O)(CO)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is ZCIXWTRDKYVOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11-16-12(9-13(17-11)19-6-2-5-15-19)18-7-3-14(21,10-20)4-8-18/h2,5-6,9,20-21H,3-4,7-8,10H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol?
4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 289.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 56748397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).