6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C16H16Cl2N6O2 — CID 118599040

IUPAC6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESNc1ncnc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)c1Cl
InChIInChI=1S/C16H16Cl2N6O2/c17-8-6-9(22-13-10(18)12(19)20-7-21-13)15(26)24-11(8)14(25)23-16(24)4-2-1-3-5-16/h6-7H,1-5H2,(H,23,25)(H3,19,20,21,22)
InChIKeyGBZIOQYCTAFXKL-UHFFFAOYSA-N
MW395.25 g/mol
LogP2.63
Rot. Bonds2

About 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118599040) has the molecular formula C16H16Cl2N6O2 and a molecular weight of 395.25 g/mol. Its IUPAC name is 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID118599040
Molecular FormulaC16H16Cl2N6O2
Molecular Weight395.25 g/mol
Exact Mass394.07
IUPAC Name6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESNc1ncnc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)c1Cl
InChIInChI=1S/C16H16Cl2N6O2/c17-8-6-9(22-13-10(18)12(19)20-7-21-13)15(26)24-11(8)14(25)23-16(24)4-2-1-3-5-16/h6-7H,1-5H2,(H,23,25)(H3,19,20,21,22)
InChIKeyGBZIOQYCTAFXKL-UHFFFAOYSA-N
XLogP2.63
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118599040) is 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Nc1ncnc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)c1Cl.
What is the InChIKey of 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is GBZIOQYCTAFXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6O2/c17-8-6-9(22-13-10(18)12(19)20-7-21-13)15(26)24-11(8)14(25)23-16(24)4-2-1-3-5-16/h6-7H,1-5H2,(H,23,25)(H3,19,20,21,22).
What are the key properties of 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 395.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118599040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).