5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine

C17H13N5O — CID 122695209

IUPAC5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1C(c1ccc(Oc3ccccc3)nc1)=NC2
InChIInChI=1S/C17H13N5O/c18-17-15-13(21-10-22-17)9-20-16(15)11-6-7-14(19-8-11)23-12-4-2-1-3-5-12/h1-8,10H,9H2,(H2,18,21,22)
InChIKeySENSBHFVAUBRBO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.60
Rot. Bonds3

About 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine

5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 122695209) has the molecular formula C17H13N5O and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID122695209
Molecular FormulaC17H13N5O
Molecular Weight303.32 g/mol
Exact Mass303.11
IUPAC Name5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1C(c1ccc(Oc3ccccc3)nc1)=NC2
InChIInChI=1S/C17H13N5O/c18-17-15-13(21-10-22-17)9-20-16(15)11-6-7-14(19-8-11)23-12-4-2-1-3-5-12/h1-8,10H,9H2,(H2,18,21,22)
InChIKeySENSBHFVAUBRBO-UHFFFAOYSA-N
XLogP2.60
TPSA86.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 122695209) is 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1C(c1ccc(Oc3ccccc3)nc1)=NC2.
What is the InChIKey of 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SENSBHFVAUBRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-17-15-13(21-10-22-17)9-20-16(15)11-6-7-14(19-8-11)23-12-4-2-1-3-5-12/h1-8,10H,9H2,(H2,18,21,22).
What are the key properties of 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122695209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).