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

C23H23N5O3 — CID 82018676

IUPAC2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n2CCN3c2ccc(OCCc3ccccc3)cc2)n(C)c1=O
InChIInChI=1S/C23H23N5O3/c1-25-20-19(21(29)26(2)23(25)30)28-14-13-27(22(28)24-20)17-8-10-18(11-9-17)31-15-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChIKeyBVWSCVINOABDEX-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.21
Rot. Bonds5

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

2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 82018676) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID82018676
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n2CCN3c2ccc(OCCc3ccccc3)cc2)n(C)c1=O
InChIInChI=1S/C23H23N5O3/c1-25-20-19(21(29)26(2)23(25)30)28-14-13-27(22(28)24-20)17-8-10-18(11-9-17)31-15-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChIKeyBVWSCVINOABDEX-UHFFFAOYSA-N
XLogP2.21
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 42108671
2,4-dimethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4859162
2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 42108677
2-benzyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 44893769
6-(4-chlorophenyl)-4-methyl-2-(3-phenylpropyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 5001791
1-methyl-9-(4-phenoxyphenyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3818247
4-methyl-2-(2-methylpropyl)-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 3651929
4-methyl-2-(2-methylprop-2-enyl)-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4859914
6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 3610074
2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4888977
9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 664449
2-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4885644

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 82018676) is 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cn1c(=O)c2c(nc3n2CCN3c2ccc(OCCc3ccccc3)cc2)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is BVWSCVINOABDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-25-20-19(21(29)26(2)23(25)30)28-14-13-27(22(28)24-20)17-8-10-18(11-9-17)31-15-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 417.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 82018676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).