methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate

C12H17N3O5 — CID 60714512

IUPACmethyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O5/c1-15(5-3-4-11(18)20-2)10(17)7-8-6-9(16)14-12(19)13-8/h6H,3-5,7H2,1-2H3,(H2,13,14,16,19)
InChIKeyAZQGSEFVAIQFRY-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.98
Rot. Bonds6

About methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate

methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate (PubChem CID 60714512) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate
PubChem CID60714512
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Namemethyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O5/c1-15(5-3-4-11(18)20-2)10(17)7-8-6-9(16)14-12(19)13-8/h6H,3-5,7H2,1-2H3,(H2,13,14,16,19)
InChIKeyAZQGSEFVAIQFRY-UHFFFAOYSA-N
XLogP-0.98
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate (CID 60714512) is methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate is COC(=O)CCCN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate?
The InChIKey is AZQGSEFVAIQFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-15(5-3-4-11(18)20-2)10(17)7-8-6-9(16)14-12(19)13-8/h6H,3-5,7H2,1-2H3,(H2,13,14,16,19).
What are the key properties of methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate?
methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate has a molecular weight of 283.28 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate is sourced from PubChem (CID 60714512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).