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

C18H21N5O3 — CID 42108671

IUPAC2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCCOc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C18H21N5O3/c1-4-11-26-13-7-5-12(6-8-13)22-9-10-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h5-8H,4,9-11H2,1-3H3
InChIKeyORJISMZRKSOLEX-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.37
Rot. Bonds4

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

2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 42108671) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID42108671
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCCOc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C18H21N5O3/c1-4-11-26-13-7-5-12(6-8-13)22-9-10-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h5-8H,4,9-11H2,1-3H3
InChIKeyORJISMZRKSOLEX-UHFFFAOYSA-N
XLogP1.37
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 42108671) is 2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is CCCOc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1.
What is the InChIKey of 2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is ORJISMZRKSOLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-4-11-26-13-7-5-12(6-8-13)22-9-10-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 355.40 g/mol, XLogP of 1.37, 4 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-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 42108671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).