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

C14H14N6O2 — CID 118598605

IUPAC6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione
SMILESO=C1NC2(CCNC2)n2c1ccc(Nc1ccncn1)c2=O
InChIInChI=1S/C14H14N6O2/c21-12-10-2-1-9(18-11-3-5-16-8-17-11)13(22)20(10)14(19-12)4-6-15-7-14/h1-3,5,8,15H,4,6-7H2,(H,19,21)(H,16,17,18)
InChIKeyGPWOVPKPDPVMBY-UHFFFAOYSA-N
MW298.31 g/mol
LogP-0.23
Rot. Bonds2

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

6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione (PubChem CID 118598605) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione.

Molecular Properties

Compound Name6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione
PubChem CID118598605
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione
SMILESO=C1NC2(CCNC2)n2c1ccc(Nc1ccncn1)c2=O
InChIInChI=1S/C14H14N6O2/c21-12-10-2-1-9(18-11-3-5-16-8-17-11)13(22)20(10)14(19-12)4-6-15-7-14/h1-3,5,8,15H,4,6-7H2,(H,19,21)(H,16,17,18)
InChIKeyGPWOVPKPDPVMBY-UHFFFAOYSA-N
XLogP-0.23
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione?
The IUPAC name of 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione (CID 118598605) is 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione.
What is the SMILES notation for 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione?
The canonical SMILES for 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione is O=C1NC2(CCNC2)n2c1ccc(Nc1ccncn1)c2=O.
What is the InChIKey of 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione?
The InChIKey is GPWOVPKPDPVMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c21-12-10-2-1-9(18-11-3-5-16-8-17-11)13(22)20(10)14(19-12)4-6-15-7-14/h1-3,5,8,15H,4,6-7H2,(H,19,21)(H,16,17,18).
What are the key properties of 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione?
6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione has a molecular weight of 298.31 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione is sourced from PubChem (CID 118598605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).