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

C18H15N3O4 — CID 70113606

IUPAC5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc2c(c1)C=Cc1oc(C)nc1C2c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H15N3O4/c1-9-20-16-14(25-9)6-3-10-7-11(24-2)4-5-12(10)15(16)13-8-19-18(23)21-17(13)22/h3-8,15H,1-2H3,(H2,19,21,22,23)
InChIKeyTUQSQOQXMCAJMI-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.03
Rot. Bonds2

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

5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 70113606) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID70113606
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc2c(c1)C=Cc1oc(C)nc1C2c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H15N3O4/c1-9-20-16-14(25-9)6-3-10-7-11(24-2)4-5-12(10)15(16)13-8-19-18(23)21-17(13)22/h3-8,15H,1-2H3,(H2,19,21,22,23)
InChIKeyTUQSQOQXMCAJMI-UHFFFAOYSA-N
XLogP2.03
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione (CID 70113606) is 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione is COc1ccc2c(c1)C=Cc1oc(C)nc1C2c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is TUQSQOQXMCAJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-9-20-16-14(25-9)6-3-10-7-11(24-2)4-5-12(10)15(16)13-8-19-18(23)21-17(13)22/h3-8,15H,1-2H3,(H2,19,21,22,23).
What are the key properties of 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione?
5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 337.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12-methoxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70113606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).