2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

C14H15N5O — CID 4973471

IUPAC2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCNc1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H15N5O/c20-7-6-15-13-12-8-18-19(14(12)17-10-16-13)9-11-4-2-1-3-5-11/h1-5,8,10,20H,6-7,9H2,(H,15,16,17)
InChIKeyZYZTVHAASLMMOP-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.28
Rot. Bonds5

About 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 4973471) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
PubChem CID4973471
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCNc1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H15N5O/c20-7-6-15-13-12-8-18-19(14(12)17-10-16-13)9-11-4-2-1-3-5-11/h1-5,8,10,20H,6-7,9H2,(H,15,16,17)
InChIKeyZYZTVHAASLMMOP-UHFFFAOYSA-N
XLogP1.28
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Samuraciclib
CID 91844733
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
(2R)-2-((4-(benzylamino)-8-(1-methylethyl)pyrazolo(1,5-a)(1,3,5)triazin-2-yl)amino)butan-1-ol
CID 25190761
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530
(2S)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
CID 25190764
(3R,4S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol
CID 118329676
6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 131801461
(3S,4S)-4-(((7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)methyl)piperidin-3-ol
CID 137349544
N-[(1R)-1-phenylethyl]-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 76322048

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (CID 4973471) is 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is OCCNc1ncnc2c1cnn2Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is ZYZTVHAASLMMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-7-6-15-13-12-8-18-19(14(12)17-10-16-13)9-11-4-2-1-3-5-11/h1-5,8,10,20H,6-7,9H2,(H,15,16,17).
What are the key properties of 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 269.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 4973471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).