5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine

C17H19N5 — CID 54533959

IUPAC5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c(C3CCNCC3)cn(-c3ccccc3)c12
InChIInChI=1S/C17H19N5/c18-17-16-15(20-11-21-17)14(12-6-8-19-9-7-12)10-22(16)13-4-2-1-3-5-13/h1-5,10-12,19H,6-9H2,(H2,18,20,21)
InChIKeyYYLXOUFXZXSNKW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.47
Rot. Bonds2

About 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine

5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 54533959) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID54533959
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c(C3CCNCC3)cn(-c3ccccc3)c12
InChIInChI=1S/C17H19N5/c18-17-16-15(20-11-21-17)14(12-6-8-19-9-7-12)10-22(16)13-4-2-1-3-5-13/h1-5,10-12,19H,6-9H2,(H2,18,20,21)
InChIKeyYYLXOUFXZXSNKW-UHFFFAOYSA-N
XLogP2.47
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine (CID 54533959) is 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine is Nc1ncnc2c(C3CCNCC3)cn(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is YYLXOUFXZXSNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-17-16-15(20-11-21-17)14(12-6-8-19-9-7-12)10-22(16)13-4-2-1-3-5-13/h1-5,10-12,19H,6-9H2,(H2,18,20,21).
What are the key properties of 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine?
5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 54533959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).