5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione

C18H17N3O4 — CID 70113472

IUPAC5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione
SMILESCc1nc2c(o1)CCc1ccccc1C2(O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H17N3O4/c1-10-19-15-14(25-10)8-7-11-5-3-4-6-12(11)18(15,24)13-9-21(2)17(23)20-16(13)22/h3-6,9,24H,7-8H2,1-2H3,(H,20,22,23)
InChIKeyODSOBDHOJKFWLU-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.75
Rot. Bonds1

About 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione

5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione (PubChem CID 70113472) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione
PubChem CID70113472
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione
SMILESCc1nc2c(o1)CCc1ccccc1C2(O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H17N3O4/c1-10-19-15-14(25-10)8-7-11-5-3-4-6-12(11)18(15,24)13-9-21(2)17(23)20-16(13)22/h3-6,9,24H,7-8H2,1-2H3,(H,20,22,23)
InChIKeyODSOBDHOJKFWLU-UHFFFAOYSA-N
XLogP0.75
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

(+/-)-1-Methyl-5-(9,10-dihydro-4-hydroxy-2,7-dimethyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
CID 70112383
(+/-)-5-[7-Chloro-9,10-dihydro-4-hydroxy-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl]-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 70112767
5-(5,12-Dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
CID 70112959
(+/-)-5-(2-Methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 70112978
(+/-)-5-(2-Ethyl-7-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
CID 70112980
5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1H-pyrimidine-2,4-dione
CID 70113121
(+/-)-5-[7-Chloro-9,10-dihydro-4-hydroxy-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl]-2,4(1H,3H)-pyrimidinedione
CID 70113129
(+/-)-5-(7-Ethyl-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
CID 70113435
(+/-)-5-(7-Methoxy-2-methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
CID 70113606
5-(5,13-Dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methylpyrimidine-2,4-dione
CID 70113764
3-[[5-(5,12-Dimethyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]benzoic acid
CID 70113774
(+/-)-5-(9,10-Dihydro-4-hydroxy-2,7-dimethyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-yl)-2,4(1H,3H)-pyrimidinedione
CID 70113848

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione (CID 70113472) is 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione is Cc1nc2c(o1)CCc1ccccc1C2(O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione?
The InChIKey is ODSOBDHOJKFWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-10-19-15-14(25-10)8-7-11-5-3-4-6-12(11)18(15,24)13-9-21(2)17(23)20-16(13)22/h3-6,9,24H,7-8H2,1-2H3,(H,20,22,23).
What are the key properties of 5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione?
5-(2-hydroxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 0.75, 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-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70113472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).