6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione

C17H18N4O4 — CID 8990437

IUPAC6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione
SMILESCCOc1ccc(-c2cn(C)c3nc(=O)n(C)c(=O)c-3n2)cc1OC
InChIInChI=1S/C17H18N4O4/c1-5-25-12-7-6-10(8-13(12)24-4)11-9-20(2)15-14(18-11)16(22)21(3)17(23)19-15/h6-9H,5H2,1-4H3
InChIKeyGMIOPCLZZWTBNC-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.05
Rot. Bonds4

About 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione

6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione (PubChem CID 8990437) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione.

Molecular Properties

Compound Name6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione
PubChem CID8990437
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione
SMILESCCOc1ccc(-c2cn(C)c3nc(=O)n(C)c(=O)c-3n2)cc1OC
InChIInChI=1S/C17H18N4O4/c1-5-25-12-7-6-10(8-13(12)24-4)11-9-20(2)15-14(18-11)16(22)21(3)17(23)19-15/h6-9H,5H2,1-4H3
InChIKeyGMIOPCLZZWTBNC-UHFFFAOYSA-N
XLogP1.05
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(3,4-dimethoxyphenyl)-1,6-dimethyl-
CID 322478
3-(3-Ethoxy-4-propan-2-yloxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 3164064
1,3-Dimethyl-8-[{3-(2-methoxy-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16, RB-410)
CID 118986877
1,3-Dimethyl-8-[4-methoxy-3-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (16c, RB-414)
CID 118986906
1,3-Dimethyl-8-[4-methoxy-3-{2-(piperidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (16d, RB-417)
CID 118986907
1,3-Dimethyl-8-[{3-(2-(hexamethyleneimin-1-yl)-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16e, RB-449)
CID 118986908
1,3-Dimethyl-8-[4-methoxy-3-{(2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]-xanthine (16f, RB-415)
CID 118986909
1,3-Dimethyl-8-[4-methoxy-3-{2-(1-methylpiperazin-4-yl)-2-oxo-ethoxy}-phenyl]xanthine (16g, RB-416)
CID 118986910
1,3-Dimethyl-8-[{4-(2-methoxy-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15, RB-384)
CID 118986876
1,3-Dimethyl-8-[3-methoxy-4-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (15c, RB-392)
CID 118986897
1,3-Dimethyl-8-[3-methoxy-4-{2-(piperidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (15d, RB-391)
CID 118986898
1,3-Dimethyl-8-[{4-(2-(hexamethyleneimin-1-yl)-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15e, RB-387)
CID 118986899

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione?
The IUPAC name of 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione (CID 8990437) is 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione.
What is the SMILES notation for 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione?
The canonical SMILES for 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione is CCOc1ccc(-c2cn(C)c3nc(=O)n(C)c(=O)c-3n2)cc1OC.
What is the InChIKey of 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione?
The InChIKey is GMIOPCLZZWTBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-5-25-12-7-6-10(8-13(12)24-4)11-9-20(2)15-14(18-11)16(22)21(3)17(23)19-15/h6-9H,5H2,1-4H3.
What are the key properties of 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione?
6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione has a molecular weight of 342.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione is sourced from PubChem (CID 8990437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).