methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate

C15H14N2O5 — CID 46735402

IUPACmethyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate
SMILESCOC(=O)c1c(/C=C/c2cc(=O)[nH]c(=O)[nH]2)cccc1OC
InChIInChI=1S/C15H14N2O5/c1-21-11-5-3-4-9(13(11)14(19)22-2)6-7-10-8-12(18)17-15(20)16-10/h3-8H,1-2H3,(H2,16,17,18,20)/b7-6+
InChIKeyBFLAJUDLVFSXLI-VOTSOKGWSA-N
MW302.29 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate

methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate (PubChem CID 46735402) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate
PubChem CID46735402
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Namemethyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate
SMILESCOC(=O)c1c(/C=C/c2cc(=O)[nH]c(=O)[nH]2)cccc1OC
InChIInChI=1S/C15H14N2O5/c1-21-11-5-3-4-9(13(11)14(19)22-2)6-7-10-8-12(18)17-15(20)16-10/h3-8H,1-2H3,(H2,16,17,18,20)/b7-6+
InChIKeyBFLAJUDLVFSXLI-VOTSOKGWSA-N
XLogP1.03
TPSA101.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-formyl-6-methoxybenzoate
CID 12730360
methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
CID 75210644
methyl 2-methoxy-6-pentadec-1-enylbenzoate
CID 68929291
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 5080941
methyl 2-methoxy-6-[(E)-6-phenylhex-1-enyl]benzoate
CID 46735447
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate
CID 46735412
methyl 2-iodo-6-methoxybenzoate
CID 91882308
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
methyl 2-[(E)-2-(4-cyclohexyl-1,2,4-triazolidin-3-yl)ethenyl]-6-methoxybenzoate
CID 142088590
2-[(E)-3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-5-methoxy-1H-pyridin-4-one
CID 18797596
methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225123

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate?
The IUPAC name of methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate (CID 46735402) is methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate.
What is the SMILES notation for methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate?
The canonical SMILES for methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate is COC(=O)c1c(/C=C/c2cc(=O)[nH]c(=O)[nH]2)cccc1OC.
What is the InChIKey of methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate?
The InChIKey is BFLAJUDLVFSXLI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-11-5-3-4-9(13(11)14(19)22-2)6-7-10-8-12(18)17-15(20)16-10/h3-8H,1-2H3,(H2,16,17,18,20)/b7-6+.
What are the key properties of methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate?
methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate has a molecular weight of 302.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate is sourced from PubChem (CID 46735402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).