2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C20H19FN6O — CID 71014081

IUPAC2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](N)Cn1nc2ncnc(N)c2c1-c1ccc(Oc2ccccc2)cc1F
InChIInChI=1S/C20H19FN6O/c1-12(22)10-27-18(17-19(23)24-11-25-20(17)26-27)15-8-7-14(9-16(15)21)28-13-5-3-2-4-6-13/h2-9,11-12H,10,22H2,1H3,(H2,23,24,25,26)/t12-/m1/s1
InChIKeyQRLHVEAWVJDUHG-GFCCVEGCSA-N
MW378.41 g/mol
LogP3.35
Rot. Bonds5

About 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 71014081) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID71014081
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](N)Cn1nc2ncnc(N)c2c1-c1ccc(Oc2ccccc2)cc1F
InChIInChI=1S/C20H19FN6O/c1-12(22)10-27-18(17-19(23)24-11-25-20(17)26-27)15-8-7-14(9-16(15)21)28-13-5-3-2-4-6-13/h2-9,11-12H,10,22H2,1H3,(H2,23,24,25,26)/t12-/m1/s1
InChIKeyQRLHVEAWVJDUHG-GFCCVEGCSA-N
XLogP3.35
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 71014081) is 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is C[C@@H](N)Cn1nc2ncnc(N)c2c1-c1ccc(Oc2ccccc2)cc1F.
What is the InChIKey of 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QRLHVEAWVJDUHG-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12(22)10-27-18(17-19(23)24-11-25-20(17)26-27)15-8-7-14(9-16(15)21)28-13-5-3-2-4-6-13/h2-9,11-12H,10,22H2,1H3,(H2,23,24,25,26)/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 378.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 71014081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).