4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol

C14H15N5O — CID 47295068

IUPAC4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCn1ncc2c(NCCc3ccc(O)cc3)ncnc21
InChIInChI=1S/C14H15N5O/c1-19-14-12(8-18-19)13(16-9-17-14)15-7-6-10-2-4-11(20)5-3-10/h2-5,8-9,20H,6-7H2,1H3,(H,15,16,17)
InChIKeyRPTWKADVOSGVHN-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.72
Rot. Bonds4

About 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 47295068) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
PubChem CID47295068
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCn1ncc2c(NCCc3ccc(O)cc3)ncnc21
InChIInChI=1S/C14H15N5O/c1-19-14-12(8-18-19)13(16-9-17-14)15-7-6-10-2-4-11(20)5-3-10/h2-5,8-9,20H,6-7H2,1H3,(H,15,16,17)
InChIKeyRPTWKADVOSGVHN-UHFFFAOYSA-N
XLogP1.72
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol with MolForge

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Related Compounds

6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine;hydroiodide
CID 111171522
2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 86774024
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methyl-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine
CID 111589348
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide
CID 29133372

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol (CID 47295068) is 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol is Cn1ncc2c(NCCc3ccc(O)cc3)ncnc21.
What is the InChIKey of 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is RPTWKADVOSGVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-14-12(8-18-19)13(16-9-17-14)15-7-6-10-2-4-11(20)5-3-10/h2-5,8-9,20H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 269.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 47295068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).