[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol

C13H18N6O — CID 133366202

IUPAC[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESNc1c(N2CCCC(CO)C2)ncnc1-n1cccn1
InChIInChI=1S/C13H18N6O/c14-11-12(18-5-1-3-10(7-18)8-20)15-9-16-13(11)19-6-2-4-17-19/h2,4,6,9-10,20H,1,3,5,7-8,14H2
InChIKeyQOVOXVRKDJHHBF-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.45
Rot. Bonds3

About [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol

[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 133366202) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID133366202
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESNc1c(N2CCCC(CO)C2)ncnc1-n1cccn1
InChIInChI=1S/C13H18N6O/c14-11-12(18-5-1-3-10(7-18)8-20)15-9-16-13(11)19-6-2-4-17-19/h2,4,6,9-10,20H,1,3,5,7-8,14H2
InChIKeyQOVOXVRKDJHHBF-UHFFFAOYSA-N
XLogP0.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133498946
4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798
4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133454574
4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133447844
4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365860
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80776039
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133480564
4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 166340199
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 133366202) is [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol is Nc1c(N2CCCC(CO)C2)ncnc1-n1cccn1.
What is the InChIKey of [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is QOVOXVRKDJHHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-11-12(18-5-1-3-10(7-18)8-20)15-9-16-13(11)19-6-2-4-17-19/h2,4,6,9-10,20H,1,3,5,7-8,14H2.
What are the key properties of [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 274.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 133366202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).