5-(12-ethyl-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

C19H17N3O3 — CID 70113435

IUPAC5-(12-ethyl-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
SMILESCCc1ccc2c(c1)C=Cc1oc(C)nc1C2c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-3-11-4-6-13-12(8-11)5-7-15-17(21-10(2)25-15)16(13)14-9-20-19(24)22-18(14)23/h4-9,16H,3H2,1-2H3,(H2,20,22,23,24)
InChIKeyVEWHNESEUQNHGK-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.59
Rot. Bonds2

About 5-(12-ethyl-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-ethyl-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 70113435) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-(12-ethyl-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-ethyl-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 CID70113435
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name5-(12-ethyl-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
SMILESCCc1ccc2c(c1)C=Cc1oc(C)nc1C2c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-3-11-4-6-13-12(8-11)5-7-15-17(21-10(2)25-15)16(13)14-9-20-19(24)22-18(14)23/h4-9,16H,3H2,1-2H3,(H2,20,22,23,24)
InChIKeyVEWHNESEUQNHGK-UHFFFAOYSA-N
XLogP2.59
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(12-ethyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(12-ethyl-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-ethyl-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 70113435) is 5-(12-ethyl-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-ethyl-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-ethyl-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 CCc1ccc2c(c1)C=Cc1oc(C)nc1C2c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(12-ethyl-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 VEWHNESEUQNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-3-11-4-6-13-12(8-11)5-7-15-17(21-10(2)25-15)16(13)14-9-20-19(24)22-18(14)23/h4-9,16H,3H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 5-(12-ethyl-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-ethyl-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 335.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12-ethyl-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 70113435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).