6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

C15H15N5O2 — CID 118598599

IUPAC6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESO=C1NC2(CCCC2)n2c1ccc(Nc1ccncn1)c2=O
InChIInChI=1S/C15H15N5O2/c21-13-11-4-3-10(18-12-5-8-16-9-17-12)14(22)20(11)15(19-13)6-1-2-7-15/h3-5,8-9H,1-2,6-7H2,(H,19,21)(H,16,17,18)
InChIKeyPIZDEEXJCJSPIZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.35
Rot. Bonds2

About 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (PubChem CID 118598599) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.

Molecular Properties

Compound Name6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
PubChem CID118598599
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESO=C1NC2(CCCC2)n2c1ccc(Nc1ccncn1)c2=O
InChIInChI=1S/C15H15N5O2/c21-13-11-4-3-10(18-12-5-8-16-9-17-12)14(22)20(11)15(19-13)6-1-2-7-15/h3-5,8-9H,1-2,6-7H2,(H,19,21)(H,16,17,18)
InChIKeyPIZDEEXJCJSPIZ-UHFFFAOYSA-N
XLogP1.35
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The IUPAC name of 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (CID 118598599) is 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.
What is the SMILES notation for 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The canonical SMILES for 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is O=C1NC2(CCCC2)n2c1ccc(Nc1ccncn1)c2=O.
What is the InChIKey of 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The InChIKey is PIZDEEXJCJSPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-13-11-4-3-10(18-12-5-8-16-9-17-12)14(22)20(11)15(19-13)6-1-2-7-15/h3-5,8-9H,1-2,6-7H2,(H,19,21)(H,16,17,18).
What are the key properties of 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione has a molecular weight of 297.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is sourced from PubChem (CID 118598599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).