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

C13H19N3O5 — CID 2128912

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate
SMILESCCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O5/c1-4-5-6-9(18)21-7-8(17)10-11(14)15(2)13(20)16(3)12(10)19/h4-7,14H2,1-3H3
InChIKeyFREFWMSIFYESHN-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.42
Rot. Bonds6

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

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate (PubChem CID 2128912) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate
PubChem CID2128912
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate
SMILESCCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O5/c1-4-5-6-9(18)21-7-8(17)10-11(14)15(2)13(20)16(3)12(10)19/h4-7,14H2,1-3H3
InChIKeyFREFWMSIFYESHN-UHFFFAOYSA-N
XLogP-0.42
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.42
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] pentanoate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate (CID 2128912) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate is CCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate?
The InChIKey is FREFWMSIFYESHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-4-5-6-9(18)21-7-8(17)10-11(14)15(2)13(20)16(3)12(10)19/h4-7,14H2,1-3H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate has a molecular weight of 297.31 g/mol, XLogP of -0.42, 6 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] pentanoate is sourced from PubChem (CID 2128912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).