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

C15H13ClFN3O5 — CID 7699325

IUPAC[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCn1c(N)c(C(=O)COC(=O)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C15H13ClFN3O5/c1-20-13(18)12(14(23)19-15(20)24)10(21)6-25-11(22)5-7-8(16)3-2-4-9(7)17/h2-4H,5-6,18H2,1H3,(H,19,23,24)
InChIKeyWLZHXIDBRIJCAX-UHFFFAOYSA-N
MW369.74 g/mol
LogP0.42
Rot. Bonds5

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

[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7699325) has the molecular formula C15H13ClFN3O5 and a molecular weight of 369.74 g/mol. Its IUPAC name is [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID7699325
Molecular FormulaC15H13ClFN3O5
Molecular Weight369.74 g/mol
Exact Mass369.05
IUPAC Name[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCn1c(N)c(C(=O)COC(=O)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C15H13ClFN3O5/c1-20-13(18)12(14(23)19-15(20)24)10(21)6-25-11(22)5-7-8(16)3-2-4-9(7)17/h2-4H,5-6,18H2,1H3,(H,19,23,24)
InChIKeyWLZHXIDBRIJCAX-UHFFFAOYSA-N
XLogP0.42
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.74
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 7699325) is [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is Cn1c(N)c(C(=O)COC(=O)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is WLZHXIDBRIJCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O5/c1-20-13(18)12(14(23)19-15(20)24)10(21)6-25-11(22)5-7-8(16)3-2-4-9(7)17/h2-4H,5-6,18H2,1H3,(H,19,23,24).
What are the key properties of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 369.74 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7699325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).