[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C16H16FN3O5 — CID 2094770

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCn1c(N)c(C(=O)COC(=O)Cc2ccccc2F)c(=O)n(C)c1=O
InChIInChI=1S/C16H16FN3O5/c1-19-14(18)13(15(23)20(2)16(19)24)11(21)8-25-12(22)7-9-5-3-4-6-10(9)17/h3-6H,7-8,18H2,1-2H3
InChIKeyQYVFDAFLHTZJQP-UHFFFAOYSA-N
MW349.32 g/mol
LogP-0.23
Rot. Bonds5

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2094770) has the molecular formula C16H16FN3O5 and a molecular weight of 349.32 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2094770
Molecular FormulaC16H16FN3O5
Molecular Weight349.32 g/mol
Exact Mass349.11
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCn1c(N)c(C(=O)COC(=O)Cc2ccccc2F)c(=O)n(C)c1=O
InChIInChI=1S/C16H16FN3O5/c1-19-14(18)13(15(23)20(2)16(19)24)11(21)8-25-12(22)7-9-5-3-4-6-10(9)17/h3-6H,7-8,18H2,1-2H3
InChIKeyQYVFDAFLHTZJQP-UHFFFAOYSA-N
XLogP-0.23
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2094770) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is Cn1c(N)c(C(=O)COC(=O)Cc2ccccc2F)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is QYVFDAFLHTZJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O5/c1-19-14(18)13(15(23)20(2)16(19)24)11(21)8-25-12(22)7-9-5-3-4-6-10(9)17/h3-6H,7-8,18H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 349.32 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2094770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).