2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine

C11H14N4 — CID 54005564

IUPAC2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1cc2nc(C3CCNCC3)ncc2[nH]1
InChIInChI=1S/C11H14N4/c1-4-12-5-2-8(1)11-14-7-10-9(15-11)3-6-13-10/h3,6-8,12-13H,1-2,4-5H2
InChIKeyAUORHEMDUVHXOL-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.42
Rot. Bonds1

About 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine

2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 54005564) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID54005564
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1cc2nc(C3CCNCC3)ncc2[nH]1
InChIInChI=1S/C11H14N4/c1-4-12-5-2-8(1)11-14-7-10-9(15-11)3-6-13-10/h3,6-8,12-13H,1-2,4-5H2
InChIKeyAUORHEMDUVHXOL-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 54005564) is 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine is c1cc2nc(C3CCNCC3)ncc2[nH]1.
What is the InChIKey of 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is AUORHEMDUVHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-4-12-5-2-8(1)11-14-7-10-9(15-11)3-6-13-10/h3,6-8,12-13H,1-2,4-5H2.
What are the key properties of 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 54005564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).