5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione

C19H17N3O3 — CID 70112109

IUPAC5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
SMILESCc1ccc2c(c1)C=Cc1nc(C)oc1C2c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-10-4-6-13-12(8-10)5-7-15-17(25-11(2)20-15)16(13)14-9-22(3)19(24)21-18(14)23/h4-9,16H,1-3H3,(H,21,23,24)
InChIKeyZKJJFQOHSHDNGF-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.34
Rot. Bonds1

About 5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione

5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione (PubChem CID 70112109) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
PubChem CID70112109
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
SMILESCc1ccc2c(c1)C=Cc1nc(C)oc1C2c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-10-4-6-13-12(8-10)5-7-15-17(25-11(2)20-15)16(13)14-9-22(3)19(24)21-18(14)23/h4-9,16H,1-3H3,(H,21,23,24)
InChIKeyZKJJFQOHSHDNGF-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-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione (CID 70112109) is 5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione is Cc1ccc2c(c1)C=Cc1nc(C)oc1C2c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione?
The InChIKey is ZKJJFQOHSHDNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-10-4-6-13-12(8-10)5-7-15-17(25-11(2)20-15)16(13)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-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione?
5-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-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-(5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70112109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).