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)-1H-pyrimidine-2,4-dione

C18H17N3O4 — CID 70113848

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)-1H-pyrimidine-2,4-dione
SMILESCc1ccc2c(c1)CCc1oc(C)nc1C2(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H17N3O4/c1-9-3-5-12-11(7-9)4-6-14-15(20-10(2)25-14)18(12,24)13-8-19-17(23)21-16(13)22/h3,5,7-8,24H,4,6H2,1-2H3,(H2,19,21,22,23)
InChIKeyLFNZVHHBZZALLO-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.05
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)-1H-pyrimidine-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)-1H-pyrimidine-2,4-dione (PubChem CID 70113848) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 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)-1H-pyrimidine-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)-1H-pyrimidine-2,4-dione
PubChem CID70113848
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
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)-1H-pyrimidine-2,4-dione
SMILESCc1ccc2c(c1)CCc1oc(C)nc1C2(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H17N3O4/c1-9-3-5-12-11(7-9)4-6-14-15(20-10(2)25-14)18(12,24)13-8-19-17(23)21-16(13)22/h3,5,7-8,24H,4,6H2,1-2H3,(H2,19,21,22,23)
InChIKeyLFNZVHHBZZALLO-UHFFFAOYSA-N
XLogP1.05
TPSA111.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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)-1H-pyrimidine-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)-1H-pyrimidine-2,4-dione (CID 70113848) 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)-1H-pyrimidine-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)-1H-pyrimidine-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)-1H-pyrimidine-2,4-dione is Cc1ccc2c(c1)CCc1oc(C)nc1C2(O)c1c[nH]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)-1H-pyrimidine-2,4-dione?
The InChIKey is LFNZVHHBZZALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-9-3-5-12-11(7-9)4-6-14-15(20-10(2)25-14)18(12,24)13-8-19-17(23)21-16(13)22/h3,5,7-8,24H,4,6H2,1-2H3,(H2,19,21,22,23).
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)-1H-pyrimidine-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)-1H-pyrimidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 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)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70113848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).