9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione

C17H19N7O3 — CID 10690436

IUPAC9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
SMILESCN(C)CCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C17H19N7O3/c1-20(2)8-9-23-14(25)10-6-5-7-18-12(10)24-11-13(19-16(23)24)21(3)17(27)22(4)15(11)26/h5-7H,8-9H2,1-4H3
InChIKeyYGMZSIYXDYYSCP-UHFFFAOYSA-N
MW369.39 g/mol
LogP-0.84
Rot. Bonds3

About 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione

9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione (PubChem CID 10690436) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
PubChem CID10690436
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
SMILESCN(C)CCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C17H19N7O3/c1-20(2)8-9-23-14(25)10-6-5-7-18-12(10)24-11-13(19-16(23)24)21(3)17(27)22(4)15(11)26/h5-7H,8-9H2,1-4H3
InChIKeyYGMZSIYXDYYSCP-UHFFFAOYSA-N
XLogP-0.84
TPSA99.43 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione with MolForge

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Related Compounds

13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
CID 135513699
1,3,11-trimethylpurino[8,7-b]quinazoline-2,4,6-trione
CID 10267450
6-[2-(dimethylamino)ethyl]-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CID 91901205
7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
CID 54323379
6-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 18524908
6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 4912465
6-[3-(dimethylamino)propyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4969814
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
6-butyl-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3790076
6-[(E)-but-2-enyl]-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 7585818
CID 70453231
CID 70453231
3-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridin-2-one;molecular hydrogen
CID 142993059

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione?
The IUPAC name of 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione (CID 10690436) is 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione.
What is the SMILES notation for 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione?
The canonical SMILES for 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione is CN(C)CCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12.
What is the InChIKey of 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione?
The InChIKey is YGMZSIYXDYYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-20(2)8-9-23-14(25)10-6-5-7-18-12(10)24-11-13(19-16(23)24)21(3)17(27)22(4)15(11)26/h5-7H,8-9H2,1-4H3.
What are the key properties of 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione?
9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione has a molecular weight of 369.39 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione is sourced from PubChem (CID 10690436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).