1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

C17H20N6O2 — CID 118598923

IUPAC1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCN(C)C1
InChIInChI=1S/C17H20N6O2/c1-11-8-12(20-13-4-6-18-10-19-13)16(25)23-14(11)15(24)21-17(23)5-3-7-22(2)9-17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,21,24)(H,18,19,20)
InChIKeyCLZFXJFITWSDML-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.81
Rot. Bonds2

About 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (PubChem CID 118598923) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.

Molecular Properties

Compound Name1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
PubChem CID118598923
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCN(C)C1
InChIInChI=1S/C17H20N6O2/c1-11-8-12(20-13-4-6-18-10-19-13)16(25)23-14(11)15(24)21-17(23)5-3-7-22(2)9-17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,21,24)(H,18,19,20)
InChIKeyCLZFXJFITWSDML-UHFFFAOYSA-N
XLogP0.81
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The IUPAC name of 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (CID 118598923) is 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.
What is the SMILES notation for 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The canonical SMILES for 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCN(C)C1.
What is the InChIKey of 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The InChIKey is CLZFXJFITWSDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-8-12(20-13-4-6-18-10-19-13)16(25)23-14(11)15(24)21-17(23)5-3-7-22(2)9-17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,21,24)(H,18,19,20).
What are the key properties of 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione has a molecular weight of 340.39 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1',8-dimethyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is sourced from PubChem (CID 118598923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).