butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate

C10H14N2O4 — CID 10775600

IUPACbutyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESCCCCOC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-2-3-4-16-9(14)6-7-5-8(13)12-10(15)11-7/h5H,2-4,6H2,1H3,(H2,11,12,13,15)
InChIKeyUAFXJEFMCAWJFS-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.05
Rot. Bonds5

About butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate

butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate (PubChem CID 10775600) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
PubChem CID10775600
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namebutyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESCCCCOC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-2-3-4-16-9(14)6-7-5-8(13)12-10(15)11-7/h5H,2-4,6H2,1H3,(H2,11,12,13,15)
InChIKeyUAFXJEFMCAWJFS-UHFFFAOYSA-N
XLogP-0.05
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The IUPAC name of butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate (CID 10775600) is butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate.
What is the SMILES notation for butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The canonical SMILES for butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate is CCCCOC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The InChIKey is UAFXJEFMCAWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-3-4-16-9(14)6-7-5-8(13)12-10(15)11-7/h5H,2-4,6H2,1H3,(H2,11,12,13,15).
What are the key properties of butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate has a molecular weight of 226.23 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate is sourced from PubChem (CID 10775600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).