6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C17H19N5O2 — CID 3610074

IUPAC6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C
InChIInChI=1S/C17H19N5O2/c1-10-5-6-12(9-11(10)2)21-7-8-22-13-14(18-16(21)22)19(3)17(24)20(4)15(13)23/h5-6,9H,7-8H2,1-4H3
InChIKeyDNGLJUFPDDCRSD-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.20
Rot. Bonds1

About 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 3610074) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID3610074
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C
InChIInChI=1S/C17H19N5O2/c1-10-5-6-12(9-11(10)2)21-7-8-22-13-14(18-16(21)22)19(3)17(24)20(4)15(13)23/h5-6,9H,7-8H2,1-4H3
InChIKeyDNGLJUFPDDCRSD-UHFFFAOYSA-N
XLogP1.20
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chlorophenyl)methyl]-6-(3,4-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 5074770
9-(3,4-dimethylphenyl)-1-methyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3702927
6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4891443
9-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 5151884
9-(3,4-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 4886238
9-(3,4-dimethylphenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3383441
2,4-dimethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4859162
2-[9-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
CID 3792857
2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 42108671
6-(3-chloro-4-methylphenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16813360
6-(3-chloro-4-methylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16589917
2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 42108677

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 3610074) is 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is DNGLJUFPDDCRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-5-6-12(9-11(10)2)21-7-8-22-13-14(18-16(21)22)19(3)17(24)20(4)15(13)23/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 325.37 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 3610074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).