5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione

C20H17F3N2O6 — CID 59304854

IUPAC5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2c1c(=O)n(CC(=O)c1ccc(C(F)(F)F)cc1)c(=O)n2COC
InChIInChI=1S/C20H17F3N2O6/c1-3-11-8-15(27)31-18-16(11)17(28)24(19(29)25(18)10-30-2)9-14(26)12-4-6-13(7-5-12)20(21,22)23/h4-8H,3,9-10H2,1-2H3
InChIKeyVVXJOMJMQWUYKT-UHFFFAOYSA-N
MW438.36 g/mol
LogP2.18
Rot. Bonds6

About 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione

5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304854) has the molecular formula C20H17F3N2O6 and a molecular weight of 438.36 g/mol. Its IUPAC name is 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304854
Molecular FormulaC20H17F3N2O6
Molecular Weight438.36 g/mol
Exact Mass438.10
IUPAC Name5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2c1c(=O)n(CC(=O)c1ccc(C(F)(F)F)cc1)c(=O)n2COC
InChIInChI=1S/C20H17F3N2O6/c1-3-11-8-15(27)31-18-16(11)17(28)24(19(29)25(18)10-30-2)9-14(26)12-4-6-13(7-5-12)20(21,22)23/h4-8H,3,9-10H2,1-2H3
InChIKeyVVXJOMJMQWUYKT-UHFFFAOYSA-N
XLogP2.18
TPSA100.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304854) is 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione is CCc1cc(=O)oc2c1c(=O)n(CC(=O)c1ccc(C(F)(F)F)cc1)c(=O)n2COC.
What is the InChIKey of 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is VVXJOMJMQWUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O6/c1-3-11-8-15(27)31-18-16(11)17(28)24(19(29)25(18)10-30-2)9-14(26)12-4-6-13(7-5-12)20(21,22)23/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 438.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).