ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate

C11H15N3O3 — CID 145329635

IUPACethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate
SMILESC=Cn1c(=O)n(CC(=O)OCC)cc/c1=N\C
InChIInChI=1S/C11H15N3O3/c1-4-14-9(12-3)6-7-13(11(14)16)8-10(15)17-5-2/h4,6-7H,1,5,8H2,2-3H3/b12-9+
InChIKeyTYOVWAUDRJGWBW-FMIVXFBMSA-N
MW237.26 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate

ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate (PubChem CID 145329635) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate
PubChem CID145329635
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate
SMILESC=Cn1c(=O)n(CC(=O)OCC)cc/c1=N\C
InChIInChI=1S/C11H15N3O3/c1-4-14-9(12-3)6-7-13(11(14)16)8-10(15)17-5-2/h4,6-7H,1,5,8H2,2-3H3/b12-9+
InChIKeyTYOVWAUDRJGWBW-FMIVXFBMSA-N
XLogP-0.16
TPSA65.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate (CID 145329635) is ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate is C=Cn1c(=O)n(CC(=O)OCC)cc/c1=N\C.
What is the InChIKey of ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate?
The InChIKey is TYOVWAUDRJGWBW-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-4-14-9(12-3)6-7-13(11(14)16)8-10(15)17-5-2/h4,6-7H,1,5,8H2,2-3H3/b12-9+.
What are the key properties of ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate?
ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate has a molecular weight of 237.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 145329635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).