6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

C17H17N5O2 — CID 3162690

IUPAC6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C17H17N5O2/c1-4-21-12(11-8-6-5-7-9-11)10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h5-10H,4H2,1-3H3
InChIKeyCXMSFDSUAARCMU-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.37
Rot. Bonds2

About 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 3162690) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
PubChem CID3162690
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C17H17N5O2/c1-4-21-12(11-8-6-5-7-9-11)10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h5-10H,4H2,1-3H3
InChIKeyCXMSFDSUAARCMU-UHFFFAOYSA-N
XLogP1.37
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-hydroxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3742536
6-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3738407
6-(3-methoxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3815397
6-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1044582
7-(4-bromophenyl)-6-(2-hydroxy-2-phenylethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3632003
6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1383251
6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 1046095
6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CID 91901205
7-(4-fluorophenyl)-2,4-dimethyl-6-(pyridin-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione
CID 1046211
6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 44513277
2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione
CID 4899604
6-(3-hydroxypropyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3295685

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (CID 3162690) is 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is CCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12.
What is the InChIKey of 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is CXMSFDSUAARCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-4-21-12(11-8-6-5-7-9-11)10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h5-10H,4H2,1-3H3.
What are the key properties of 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 323.36 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 3162690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).