methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate

C11H16N2O3 — CID 135800037

IUPACmethyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCCCCc1nc(CC(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O3/c1-3-4-5-9-12-8(6-10(14)13-9)7-11(15)16-2/h6H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyMHQIANIZUUFGLM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.83
Rot. Bonds5

About methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate

methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate (PubChem CID 135800037) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate
PubChem CID135800037
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCCCCc1nc(CC(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O3/c1-3-4-5-9-12-8(6-10(14)13-9)7-11(15)16-2/h6H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyMHQIANIZUUFGLM-UHFFFAOYSA-N
XLogP0.83
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate 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 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate?
The IUPAC name of methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate (CID 135800037) is methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate?
The canonical SMILES for methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate is CCCCc1nc(CC(=O)OC)cc(=O)[nH]1.
What is the InChIKey of methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate?
The InChIKey is MHQIANIZUUFGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-4-5-9-12-8(6-10(14)13-9)7-11(15)16-2/h6H,3-5,7H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate?
methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate is sourced from PubChem (CID 135800037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).