5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol

C12H11N5O2 — CID 143249070

IUPAC5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol
SMILESCNc1ncnc2c1cnn2-c1cc(O)cc(O)c1
InChIInChI=1S/C12H11N5O2/c1-13-11-10-5-16-17(12(10)15-6-14-11)7-2-8(18)4-9(19)3-7/h2-6,18-19H,1H3,(H,13,14,15)
InChIKeyHHFXVLAFRUZIAX-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.27
Rot. Bonds2

About 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol

5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol (PubChem CID 143249070) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol
PubChem CID143249070
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol
SMILESCNc1ncnc2c1cnn2-c1cc(O)cc(O)c1
InChIInChI=1S/C12H11N5O2/c1-13-11-10-5-16-17(12(10)15-6-14-11)7-2-8(18)4-9(19)3-7/h2-6,18-19H,1H3,(H,13,14,15)
InChIKeyHHFXVLAFRUZIAX-UHFFFAOYSA-N
XLogP1.27
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
1-(4-bromo-2-methylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 104508914
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476082
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205324
1-(4-bromophenyl)-N-butan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432137
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7188731
3-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N,4-dimethylbenzamide
CID 23400164

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol?
The IUPAC name of 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol (CID 143249070) is 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol?
The canonical SMILES for 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol is CNc1ncnc2c1cnn2-c1cc(O)cc(O)c1.
What is the InChIKey of 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol?
The InChIKey is HHFXVLAFRUZIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-13-11-10-5-16-17(12(10)15-6-14-11)7-2-8(18)4-9(19)3-7/h2-6,18-19H,1H3,(H,13,14,15).
What are the key properties of 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol?
5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol has a molecular weight of 257.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1,3-diol is sourced from PubChem (CID 143249070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).