1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C12H12N6S — CID 174628107

IUPAC1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccsc1)nn2C1CNC1
InChIInChI=1S/C12H12N6S/c13-11-9-10(7-1-2-19-5-7)17-18(8-3-14-4-8)12(9)16-6-15-11/h1-2,5-6,8,14H,3-4H2,(H2,13,15,16)
InChIKeyDZZAKYAYCFDSKS-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.28
Rot. Bonds2

About 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 174628107) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID174628107
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccsc1)nn2C1CNC1
InChIInChI=1S/C12H12N6S/c13-11-9-10(7-1-2-19-5-7)17-18(8-3-14-4-8)12(9)16-6-15-11/h1-2,5-6,8,14H,3-4H2,(H2,13,15,16)
InChIKeyDZZAKYAYCFDSKS-UHFFFAOYSA-N
XLogP1.28
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866969
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
3-(4-methoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71514022
1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine
CID 59633757
1-[4-[4-(azetidin-3-yl)piperazin-1-yl]cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162719607
1-(azetidin-3-yl)-3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 137254518
3-(4-methylsulfinylphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 71514501
3-(6-methoxy-3-pyridinyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71514262
1-[1-(azetidin-3-yl)piperidin-4-yl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166940800
1-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162719641
3-(4-amino-3-fluorophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386267

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 174628107) is 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccsc1)nn2C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DZZAKYAYCFDSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c13-11-9-10(7-1-2-19-5-7)17-18(8-3-14-4-8)12(9)16-6-15-11/h1-2,5-6,8,14H,3-4H2,(H2,13,15,16).
What are the key properties of 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 272.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 174628107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).