4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol

C15H16N4O — CID 56909385

IUPAC4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
SMILESCc1cc(NCc2ccc(O)cc2)n2nc(C)cc2n1
InChIInChI=1S/C15H16N4O/c1-10-7-14(19-15(17-10)8-11(2)18-19)16-9-12-3-5-13(20)6-4-12/h3-8,16,20H,9H2,1-2H3
InChIKeyCQYOLIWLBJMALE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds3

About 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol

4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol (PubChem CID 56909385) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
PubChem CID56909385
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
SMILESCc1cc(NCc2ccc(O)cc2)n2nc(C)cc2n1
InChIInChI=1S/C15H16N4O/c1-10-7-14(19-15(17-10)8-11(2)18-19)16-9-12-3-5-13(20)6-4-12/h3-8,16,20H,9H2,1-2H3
InChIKeyCQYOLIWLBJMALE-UHFFFAOYSA-N
XLogP2.66
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol (CID 56909385) is 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol is Cc1cc(NCc2ccc(O)cc2)n2nc(C)cc2n1.
What is the InChIKey of 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol?
The InChIKey is CQYOLIWLBJMALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-7-14(19-15(17-10)8-11(2)18-19)16-9-12-3-5-13(20)6-4-12/h3-8,16,20H,9H2,1-2H3.
What are the key properties of 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol?
4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol has a molecular weight of 268.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol is sourced from PubChem (CID 56909385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).