2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione

C22H24Cl2N6O3 — CID 16811884

About 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione

2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16811884) has the molecular formula C22H24Cl2N6O3 and a molecular weight of 491.38 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 16811884
• Molecular Formula: C22H24Cl2N6O3
• Molecular Weight: 491.38 g/mol
• Exact Mass: 490.13
• IUPAC Name: 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
• SMILES: Cc1cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1CCN1CCOCC1
• InChI: InChI=1S/C22H24Cl2N6O3/c1-14-12-29-18-19(25-21(29)28(14)7-6-27-8-10-33-11-9-27)26(2)22(32)30(20(18)31)13-15-16(23)4-3-5-17(15)24/h3-5,12H,6-11,13H2,1-2H3
• InChIKey: NXLFPDPSPCMFHH-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 78.70 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.38
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (CID 16811884) is 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.

What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1CCN1CCOCC1.

What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The InChIKey is NXLFPDPSPCMFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6O3/c1-14-12-29-18-19(25-21(29)28(14)7-6-27-8-10-33-11-9-27)26(2)22(32)30(20(18)31)13-15-16(23)4-3-5-17(15)24/h3-5,12H,6-11,13H2,1-2H3.

What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?

2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 491.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16811884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).