2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine

C11H11FN6 — CID 66868423

IUPAC2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESNc1ncnc2c1C(N)N(c1ccc(F)cc1)N2
InChIInChI=1S/C11H11FN6/c12-6-1-3-7(4-2-6)18-10(14)8-9(13)15-5-16-11(8)17-18/h1-5,10H,14H2,(H3,13,15,16,17)
InChIKeyCXFHJPOMFXXJIJ-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.00
Rot. Bonds1

About 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine

2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine (PubChem CID 66868423) has the molecular formula C11H11FN6 and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine
PubChem CID66868423
Molecular FormulaC11H11FN6
Molecular Weight246.25 g/mol
Exact Mass246.10
IUPAC Name2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESNc1ncnc2c1C(N)N(c1ccc(F)cc1)N2
InChIInChI=1S/C11H11FN6/c12-6-1-3-7(4-2-6)18-10(14)8-9(13)15-5-16-11(8)17-18/h1-5,10H,14H2,(H3,13,15,16,17)
InChIKeyCXFHJPOMFXXJIJ-UHFFFAOYSA-N
XLogP1.00
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine (CID 66868423) is 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine is Nc1ncnc2c1C(N)N(c1ccc(F)cc1)N2.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine?
The InChIKey is CXFHJPOMFXXJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN6/c12-6-1-3-7(4-2-6)18-10(14)8-9(13)15-5-16-11(8)17-18/h1-5,10H,14H2,(H3,13,15,16,17).
What are the key properties of 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine?
2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine has a molecular weight of 246.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 66868423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).