6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C17H19N5 — CID 10685135

IUPAC6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C17H19N5/c18-17-20-14-11-13(12-7-3-1-4-8-12)19-15(14)16(21-17)22-9-5-2-6-10-22/h1,3-4,7-8,11,19H,2,5-6,9-10H2,(H2,18,20,21)
InChIKeyZONXEKBVNGKTDS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.20
Rot. Bonds2

About 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine

6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 10685135) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID10685135
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C17H19N5/c18-17-20-14-11-13(12-7-3-1-4-8-12)19-15(14)16(21-17)22-9-5-2-6-10-22/h1,3-4,7-8,11,19H,2,5-6,9-10H2,(H2,18,20,21)
InChIKeyZONXEKBVNGKTDS-UHFFFAOYSA-N
XLogP3.20
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 10685135) is 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is ZONXEKBVNGKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-17-20-14-11-13(12-7-3-1-4-8-12)19-15(14)16(21-17)22-9-5-2-6-10-22/h1,3-4,7-8,11,19H,2,5-6,9-10H2,(H2,18,20,21).
What are the key properties of 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 10685135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).