cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

C17H20N6O — CID 170278821

IUPACcis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CNc1nccc(-c2ccn3nccc3n2)n1
InChIInChI=1S/C17H20N6O/c24-15-4-2-1-3-12(15)11-19-17-18-8-5-13(22-17)14-7-10-23-16(21-14)6-9-20-23/h5-10,12,15,24H,1-4,11H2,(H,18,19,22)/t12-,15+/m0/s1
InChIKeyAOHSPJRSGDTECE-SWLSCSKDSA-N
MW324.39 g/mol
LogP2.15
Rot. Bonds4

About cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol

cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 170278821) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID170278821
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Namecis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CNc1nccc(-c2ccn3nccc3n2)n1
InChIInChI=1S/C17H20N6O/c24-15-4-2-1-3-12(15)11-19-17-18-8-5-13(22-17)14-7-10-23-16(21-14)6-9-20-23/h5-10,12,15,24H,1-4,11H2,(H,18,19,22)/t12-,15+/m0/s1
InChIKeyAOHSPJRSGDTECE-SWLSCSKDSA-N
XLogP2.15
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

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2-[(1S)-2-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol
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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (CID 170278821) is cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1CNc1nccc(-c2ccn3nccc3n2)n1.
What is the InChIKey of cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is AOHSPJRSGDTECE-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H20N6O/c24-15-4-2-1-3-12(15)11-19-17-18-8-5-13(22-17)14-7-10-23-16(21-14)6-9-20-23/h5-10,12,15,24H,1-4,11H2,(H,18,19,22)/t12-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 324.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 170278821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).