4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol

C14H15N5O — CID 59447546

IUPAC4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
SMILESCC(C)Nc1ncnc2c1cnn2-c1ccc(O)cc1
InChIInChI=1S/C14H15N5O/c1-9(2)18-13-12-7-17-19(14(12)16-8-15-13)10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,15,16,18)
InChIKeySXAWPBPYHLXTIT-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.34
Rot. Bonds3

About 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol

4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol (PubChem CID 59447546) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
PubChem CID59447546
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
SMILESCC(C)Nc1ncnc2c1cnn2-c1ccc(O)cc1
InChIInChI=1S/C14H15N5O/c1-9(2)18-13-12-7-17-19(14(12)16-8-15-13)10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,15,16,18)
InChIKeySXAWPBPYHLXTIT-UHFFFAOYSA-N
XLogP2.34
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
4-({4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}amino)phenol
CID 5327829
3-{[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]ethynyl}phenol
CID 44475985
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-[(1E)-{2-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91582777
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545
{4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl}methanol
CID 1485411
N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 3139598
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine
CID 2941340
N-ethyl-1-(4-methoxyphenyl)-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 4403984
4-nitro-2-{(E)-[2-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 135635723

Frequently Asked Questions

What is the IUPAC name of 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol?
The IUPAC name of 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol (CID 59447546) is 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol.
What is the SMILES notation for 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol?
The canonical SMILES for 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol is CC(C)Nc1ncnc2c1cnn2-c1ccc(O)cc1.
What is the InChIKey of 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol?
The InChIKey is SXAWPBPYHLXTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(2)18-13-12-7-17-19(14(12)16-8-15-13)10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,15,16,18).
What are the key properties of 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol?
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol has a molecular weight of 269.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol is sourced from PubChem (CID 59447546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).