6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol

C15H15FN4O — CID 155544389

IUPAC6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCNc1ncc2c(O)n(CCc3ccc(F)cc3)cc2n1
InChIInChI=1S/C15H15FN4O/c1-17-15-18-8-12-13(19-15)9-20(14(12)21)7-6-10-2-4-11(16)5-3-10/h2-5,8-9,21H,6-7H2,1H3,(H,17,19)
InChIKeyOBWVQHXTJXPUQJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.56
Rot. Bonds4

About 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol

6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155544389) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155544389
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCNc1ncc2c(O)n(CCc3ccc(F)cc3)cc2n1
InChIInChI=1S/C15H15FN4O/c1-17-15-18-8-12-13(19-15)9-20(14(12)21)7-6-10-2-4-11(16)5-3-10/h2-5,8-9,21H,6-7H2,1H3,(H,17,19)
InChIKeyOBWVQHXTJXPUQJ-UHFFFAOYSA-N
XLogP2.56
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol (CID 155544389) is 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol is CNc1ncc2c(O)n(CCc3ccc(F)cc3)cc2n1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is OBWVQHXTJXPUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-17-15-18-8-12-13(19-15)9-20(14(12)21)7-6-10-2-4-11(16)5-3-10/h2-5,8-9,21H,6-7H2,1H3,(H,17,19).
What are the key properties of 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol?
6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 286.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155544389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).