5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione

C19H17N3O3 — CID 70113764

IUPAC5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
SMILESCc1ccc2c(c1)C(c1cn(C)c(=O)[nH]c1=O)c1nc(C)oc1C=C2
InChIInChI=1S/C19H17N3O3/c1-10-4-5-12-6-7-15-17(20-11(2)25-15)16(13(12)8-10)14-9-22(3)19(24)21-18(14)23/h4-9,16H,1-3H3,(H,21,23,24)
InChIKeyYOTJIYNLJJJVGH-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.34
Rot. Bonds1

About 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione

5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione (PubChem CID 70113764) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
PubChem CID70113764
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
SMILESCc1ccc2c(c1)C(c1cn(C)c(=O)[nH]c1=O)c1nc(C)oc1C=C2
InChIInChI=1S/C19H17N3O3/c1-10-4-5-12-6-7-15-17(20-11(2)25-15)16(13(12)8-10)14-9-22(3)19(24)21-18(14)23/h4-9,16H,1-3H3,(H,21,23,24)
InChIKeyYOTJIYNLJJJVGH-UHFFFAOYSA-N
XLogP2.34
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

(+/-)-1-Methyl-5-(2,7-dimethyl-10H-benzo[4,5]cyclohepta[1,2-d]oxazol-10-yl)-2,4-(1H,3H)-pyrimidinedione
CID 70112109
(+/-)-1-Methyl-5-(9,10-dihydro-4-hydroxy-2,7-dimethyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
CID 70112383
(+/-)-5-[7-Chloro-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl]-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 70112512
5-(5,12-Dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
CID 70112959
(+/-)-5-(2-Methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 70112978
(+/-)-5-(2-Ethyl-7-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
CID 70112980
2-[[5-(5-Ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 70113078
5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1H-pyrimidine-2,4-dione
CID 70113121
[5-[[5-(5-Ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate
CID 70113179
(+/-)-5-(7-Ethyl-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
CID 70113435
(+/-)-5-(9,10-Dihydro-4-hydroxy-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 70113472
(+/-)-5-[7-[(1,1-Dimethylethyl)dimethylsiloxy]-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl]-2,4(1H,3H)-pyrimidinedione
CID 70113495

Frequently Asked Questions

What is the IUPAC name of 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione (CID 70113764) is 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione is Cc1ccc2c(c1)C(c1cn(C)c(=O)[nH]c1=O)c1nc(C)oc1C=C2.
What is the InChIKey of 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione?
The InChIKey is YOTJIYNLJJJVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-10-4-5-12-6-7-15-17(20-11(2)25-15)16(13(12)8-10)14-9-22(3)19(24)21-18(14)23/h4-9,16H,1-3H3,(H,21,23,24).
What are the key properties of 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione?
5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,13-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70113764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).