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

C13H10N6O3 — CID 135513699

IUPAC13,15-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
SMILESCn1c(=O)c2c(nc3[nH]c(=O)c4cccnc4n32)n(C)c1=O
InChIInChI=1S/C13H10N6O3/c1-17-9-7(11(21)18(2)13(17)22)19-8-6(4-3-5-14-8)10(20)16-12(19)15-9/h3-5H,1-2H3,(H,15,16,20)
InChIKeyAGZXBUNTWIWKKQ-UHFFFAOYSA-N
MW298.26 g/mol
LogP-0.88
Rot. Bonds

About 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

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 135513699) has the molecular formula C13H10N6O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is 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 Name13,15-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 CID135513699
Molecular FormulaC13H10N6O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name13,15-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
SMILESCn1c(=O)c2c(nc3[nH]c(=O)c4cccnc4n32)n(C)c1=O
InChIInChI=1S/C13H10N6O3/c1-17-9-7(11(21)18(2)13(17)22)19-8-6(4-3-5-14-8)10(20)16-12(19)15-9/h3-5H,1-2H3,(H,15,16,20)
InChIKeyAGZXBUNTWIWKKQ-UHFFFAOYSA-N
XLogP-0.88
TPSA107.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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

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
1,3,11-trimethylpurino[8,7-b]quinazoline-2,4,6-trione
CID 10267450
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
7,9-dimethyl-1H-purino[8,7-c][1,2,4]triazine-4,6,8-trione
CID 11107684
2,4-dimethyl-8-pentyl-7-phenyl-6H-purino[7,8-a]imidazole-1,3-dione
CID 26433791
1,3,7-trimethyl-8-(1H-pyrazol-5-yl)purine-2,6-dione
CID 175188043
2,4-dimethyl-7-(4-phenylphenyl)-6H-purino[7,8-a]imidazole-1,3-dione
CID 11545203
1,3,7-trimethyl-8-(6-methyl-3-pyridinyl)purine-2,6-dione
CID 167483189
(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
CID 173012606
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione
CID 1257961
1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 57451141

Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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 Cn1c(=O)c2c(nc3[nH]c(=O)c4cccnc4n32)n(C)c1=O.
What is the InChIKey of 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 AGZXBUNTWIWKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O3/c1-17-9-7(11(21)18(2)13(17)22)19-8-6(4-3-5-14-8)10(20)16-12(19)15-9/h3-5H,1-2H3,(H,15,16,20).
What are the key properties of 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?
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 298.26 g/mol, XLogP of -0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 135513699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).