3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol

C14H16N6O — CID 66991555

IUPAC3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol
SMILESNc1ccc(-c2nn(CCCO)c3ncnc(N)c23)cc1
InChIInChI=1S/C14H16N6O/c15-10-4-2-9(3-5-10)12-11-13(16)17-8-18-14(11)20(19-12)6-1-7-21/h2-5,8,21H,1,6-7,15H2,(H2,16,17,18)
InChIKeyBXXOOCFTZPPNAS-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.04
Rot. Bonds4

About 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol

3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol (PubChem CID 66991555) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol
PubChem CID66991555
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol
SMILESNc1ccc(-c2nn(CCCO)c3ncnc(N)c23)cc1
InChIInChI=1S/C14H16N6O/c15-10-4-2-9(3-5-10)12-11-13(16)17-8-18-14(11)20(19-12)6-1-7-21/h2-5,8,21H,1,6-7,15H2,(H2,16,17,18)
InChIKeyBXXOOCFTZPPNAS-UHFFFAOYSA-N
XLogP1.04
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol
CID 165404172
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
1-[4-[5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pentyl]piperazin-1-yl]propan-1-one
CID 167297547
3-(2-amino-1H-indol-5-yl)-1-(4-chlorobutyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 175361011
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
3-(4-chlorophenyl)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633694
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
5-(4-amino-1-propylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 154677705
2-[2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4,7-dihydro-4,7-epoxyisoindole-1,3-diol
CID 123679144
6-[4-amino-1-(4-aminobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-methyl-1,2-benzoxazol-3-amine
CID 153358519
1-[4-[5-[4-amino-3-[3,5-bis(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pentyl]piperazin-1-yl]prop-2-en-1-one
CID 166627588

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol (CID 66991555) is 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol is Nc1ccc(-c2nn(CCCO)c3ncnc(N)c23)cc1.
What is the InChIKey of 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol?
The InChIKey is BXXOOCFTZPPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-10-4-2-9(3-5-10)12-11-13(16)17-8-18-14(11)20(19-12)6-1-7-21/h2-5,8,21H,1,6-7,15H2,(H2,16,17,18).
What are the key properties of 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol?
3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol has a molecular weight of 284.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol is sourced from PubChem (CID 66991555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).