4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol

C17H20N4O2 — CID 95868311

IUPAC4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
SMILESCc1cc(NC[C@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H20N4O2/c1-10-8-16(21-17(19-10)11(2)12(3)20-21)18-9-15(23)13-4-6-14(22)7-5-13/h4-8,15,18,22-23H,9H2,1-3H3/t15-/m0/s1
InChIKeyPMPIDEWZXAQDGU-HNNXBMFYSA-N
MW312.37 g/mol
LogP2.51
Rot. Bonds4

About 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol

4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol (PubChem CID 95868311) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
PubChem CID95868311
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
SMILESCc1cc(NC[C@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H20N4O2/c1-10-8-16(21-17(19-10)11(2)12(3)20-21)18-9-15(23)13-4-6-14(22)7-5-13/h4-8,15,18,22-23H,9H2,1-3H3/t15-/m0/s1
InChIKeyPMPIDEWZXAQDGU-HNNXBMFYSA-N
XLogP2.51
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol?
The IUPAC name of 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol (CID 95868311) is 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol is Cc1cc(NC[C@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1.
What is the InChIKey of 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol?
The InChIKey is PMPIDEWZXAQDGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-8-16(21-17(19-10)11(2)12(3)20-21)18-9-15(23)13-4-6-14(22)7-5-13/h4-8,15,18,22-23H,9H2,1-3H3/t15-/m0/s1.
What are the key properties of 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol?
4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol has a molecular weight of 312.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol is sourced from PubChem (CID 95868311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).