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

C13H12N2O3 — CID 135657771

IUPACmethyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C13H12N2O3/c1-18-12(17)8-10-7-11(16)15-13(14-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyBZKZDDICEOPWBX-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.15
Rot. Bonds3

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

methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate (PubChem CID 135657771) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate
PubChem CID135657771
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C13H12N2O3/c1-18-12(17)8-10-7-11(16)15-13(14-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyBZKZDDICEOPWBX-UHFFFAOYSA-N
XLogP1.15
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate?
The IUPAC name of methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate (CID 135657771) is methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate?
The canonical SMILES for methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate is COC(=O)Cc1cc(=O)[nH]c(-c2ccccc2)n1.
What is the InChIKey of methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate?
The InChIKey is BZKZDDICEOPWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-12(17)8-10-7-11(16)15-13(14-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate?
methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate has a molecular weight of 244.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-2-phenyl-1H-pyrimidin-4-yl)acetate is sourced from PubChem (CID 135657771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).