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

C19H19N3O4 — CID 70112383

IUPAC5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione
SMILESCc1ccc2c(c1)CCc1oc(C)nc1C2(O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-10-4-6-13-12(8-10)5-7-15-16(20-11(2)26-15)19(13,25)14-9-22(3)18(24)21-17(14)23/h4,6,8-9,25H,5,7H2,1-3H3,(H,21,23,24)
InChIKeyLGXSCXWFSIWKCM-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.06
Rot. Bonds1

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

5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione (PubChem CID 70112383) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione
PubChem CID70112383
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione
SMILESCc1ccc2c(c1)CCc1oc(C)nc1C2(O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-10-4-6-13-12(8-10)5-7-15-16(20-11(2)26-15)19(13,25)14-9-22(3)18(24)21-17(14)23/h4,6,8-9,25H,5,7H2,1-3H3,(H,21,23,24)
InChIKeyLGXSCXWFSIWKCM-UHFFFAOYSA-N
XLogP1.06
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione (CID 70112383) is 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione is Cc1ccc2c(c1)CCc1oc(C)nc1C2(O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione?
The InChIKey is LGXSCXWFSIWKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-10-4-6-13-12(8-10)5-7-15-16(20-11(2)26-15)19(13,25)14-9-22(3)18(24)21-17(14)23/h4,6,8-9,25H,5,7H2,1-3H3,(H,21,23,24).
What are the key properties of 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione?
5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione has a molecular weight of 353.38 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5,12-dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-yl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70112383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).