3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine

C14H14N6 — CID 162386266

IUPAC3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ccc(-c2nn(C3CC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C14H14N6/c15-9-3-1-8(2-4-9)12-11-13(16)17-7-18-14(11)20(19-12)10-5-6-10/h1-4,7,10H,5-6,15H2,(H2,16,17,18)
InChIKeyIXYHEIAILNOUJE-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.99
Rot. Bonds2

About 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 162386266) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID162386266
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ccc(-c2nn(C3CC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C14H14N6/c15-9-3-1-8(2-4-9)12-11-13(16)17-7-18-14(11)20(19-12)10-5-6-10/h1-4,7,10H,5-6,15H2,(H2,16,17,18)
InChIKeyIXYHEIAILNOUJE-UHFFFAOYSA-N
XLogP1.99
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
3-(4-aminophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164854514
3-(4-amino-3-fluorophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386267
3-(4-methylphenyl)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 145124778
3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633644
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
3-[4-(4-methylphenoxy)phenyl]-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166940834
tert-butyl 3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidine-1-carboxylate
CID 66990874
1-[1-(4-aminophenyl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 175363779
1-[4-[4-(azetidin-3-yl)piperazin-1-yl]cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162719607
4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one
CID 163720363
acetic acid;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162318855

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine (CID 162386266) is 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ccc(-c2nn(C3CC3)c3ncnc(N)c23)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IXYHEIAILNOUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-9-3-1-8(2-4-9)12-11-13(16)17-7-18-14(11)20(19-12)10-5-6-10/h1-4,7,10H,5-6,15H2,(H2,16,17,18).
What are the key properties of 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 266.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162386266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).