trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol

C13H18N4O — CID 56902986

IUPACtrans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
SMILESCc1cc(N[C@H]2CCCC[C@@H]2O)n2nccc2n1
InChIInChI=1S/C13H18N4O/c1-9-8-13(17-12(15-9)6-7-14-17)16-10-4-2-3-5-11(10)18/h6-8,10-11,16,18H,2-5H2,1H3/t10-,11-/m0/s1
InChIKeyAKVSKTHFVANLOY-QWRGUYRKSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds2

About trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol (PubChem CID 56902986) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
PubChem CID56902986
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Nametrans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
SMILESCc1cc(N[C@H]2CCCC[C@@H]2O)n2nccc2n1
InChIInChI=1S/C13H18N4O/c1-9-8-13(17-12(15-9)6-7-14-17)16-10-4-2-3-5-11(10)18/h6-8,10-11,16,18H,2-5H2,1H3/t10-,11-/m0/s1
InChIKeyAKVSKTHFVANLOY-QWRGUYRKSA-N
XLogP1.75
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol (CID 56902986) is trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol is Cc1cc(N[C@H]2CCCC[C@@H]2O)n2nccc2n1.
What is the InChIKey of trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The InChIKey is AKVSKTHFVANLOY-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-8-13(17-12(15-9)6-7-14-17)16-10-4-2-3-5-11(10)18/h6-8,10-11,16,18H,2-5H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 56902986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).