methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate

C10H12N2O4 — CID 10977095

IUPACmethyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cnc(OC)nc1OC
InChIInChI=1S/C10H12N2O4/c1-14-8(13)5-4-7-6-11-10(16-3)12-9(7)15-2/h4-6H,1-3H3/b5-4+
InChIKeyIHMDWRWYNYKFCU-SNAWJCMRSA-N
MW224.22 g/mol
LogP0.68
Rot. Bonds4

About methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate

methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate (PubChem CID 10977095) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate
PubChem CID10977095
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cnc(OC)nc1OC
InChIInChI=1S/C10H12N2O4/c1-14-8(13)5-4-7-6-11-10(16-3)12-9(7)15-2/h4-6H,1-3H3/b5-4+
InChIKeyIHMDWRWYNYKFCU-SNAWJCMRSA-N
XLogP0.68
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate (CID 10977095) is methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate is COC(=O)/C=C/c1cnc(OC)nc1OC.
What is the InChIKey of methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate?
The InChIKey is IHMDWRWYNYKFCU-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-14-8(13)5-4-7-6-11-10(16-3)12-9(7)15-2/h4-6H,1-3H3/b5-4+.
What are the key properties of methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate?
methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate has a molecular weight of 224.22 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoate is sourced from PubChem (CID 10977095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).