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

C13H12ClN5O2 — CID 118598634

IUPAC8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C13H12ClN5O2/c1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9/h3-6H,1-2H3,(H,18,20)(H,15,16,17)
InChIKeyVMPOUPXTRIFPLU-UHFFFAOYSA-N
MW305.73 g/mol
LogP1.47
Rot. Bonds2

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

8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598634) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598634
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C13H12ClN5O2/c1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9/h3-6H,1-2H3,(H,18,20)(H,15,16,17)
InChIKeyVMPOUPXTRIFPLU-UHFFFAOYSA-N
XLogP1.47
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598634) is 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is VMPOUPXTRIFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9/h3-6H,1-2H3,(H,18,20)(H,15,16,17).
What are the key properties of 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 305.73 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).