ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate

C11H18N4O4 — CID 90972403

IUPACethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate
SMILESCCCn1c(=O)[nH]c(N)c(NCC(=O)OCC)c1=O
InChIInChI=1S/C11H18N4O4/c1-3-5-15-10(17)8(9(12)14-11(15)18)13-6-7(16)19-4-2/h13H,3-6,12H2,1-2H3,(H,14,18)
InChIKeyVZOMJEHOYLJNAU-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.50
Rot. Bonds6

About ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate

ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate (PubChem CID 90972403) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate
PubChem CID90972403
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate
SMILESCCCn1c(=O)[nH]c(N)c(NCC(=O)OCC)c1=O
InChIInChI=1S/C11H18N4O4/c1-3-5-15-10(17)8(9(12)14-11(15)18)13-6-7(16)19-4-2/h13H,3-6,12H2,1-2H3,(H,14,18)
InChIKeyVZOMJEHOYLJNAU-UHFFFAOYSA-N
XLogP-0.50
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate (CID 90972403) is ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate is CCCn1c(=O)[nH]c(N)c(NCC(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate?
The InChIKey is VZOMJEHOYLJNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-3-5-15-10(17)8(9(12)14-11(15)18)13-6-7(16)19-4-2/h13H,3-6,12H2,1-2H3,(H,14,18).
What are the key properties of ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate?
ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate has a molecular weight of 270.29 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]acetate is sourced from PubChem (CID 90972403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).