6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione

C17H15Cl2N5O2 — CID 6484988

IUPAC6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O2/c1-9-7-24-13-14(21(2)17(26)22(3)15(13)25)20-16(24)23(9)8-10-4-5-11(18)6-12(10)19/h4-7H,8H2,1-3H3
InChIKeyCMHNDCYOVAORJO-UHFFFAOYSA-N
MW392.25 g/mol
LogP2.35
Rot. Bonds2

About 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione

6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 6484988) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID6484988
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O2/c1-9-7-24-13-14(21(2)17(26)22(3)15(13)25)20-16(24)23(9)8-10-4-5-11(18)6-12(10)19/h4-7H,8H2,1-3H3
InChIKeyCMHNDCYOVAORJO-UHFFFAOYSA-N
XLogP2.35
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 709796
2-[(2-chlorophenyl)methyl]-6-(2-hydroxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16805007
7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 5102128
7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
CID 1276493
7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 18269560
6-hexyl-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610172
2-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16616238
6-[3-(dimethylamino)propyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4969814
2,4,7-trimethyl-6-[2-(4-methylanilino)ethyl]purino[7,8-a]imidazole-1,3-dione
CID 17497963
6-[(2-chlorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4895297
2-[(2-chlorophenyl)methyl]-6-(3-ethoxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 6485028
methyl 2-(2,4,7-trimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)acetate
CID 6463161

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione (CID 6484988) is 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is CMHNDCYOVAORJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c1-9-7-24-13-14(21(2)17(26)22(3)15(13)25)20-16(24)23(9)8-10-4-5-11(18)6-12(10)19/h4-7H,8H2,1-3H3.
What are the key properties of 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione?
6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 392.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6484988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).