methyl 3-pyrimidin-5-ylpropanoate

C8H10N2O2 — CID 18470121

IUPACmethyl 3-pyrimidin-5-ylpropanoate
SMILESCOC(=O)CCc1cncnc1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)3-2-7-4-9-6-10-5-7/h4-6H,2-3H2,1H3
InChIKeyIETPBWLTYJTNJG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.58
Rot. Bonds3

About methyl 3-pyrimidin-5-ylpropanoate

methyl 3-pyrimidin-5-ylpropanoate (PubChem CID 18470121) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 3-pyrimidin-5-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-pyrimidin-5-ylpropanoate
PubChem CID18470121
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 3-pyrimidin-5-ylpropanoate
SMILESCOC(=O)CCc1cncnc1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)3-2-7-4-9-6-10-5-7/h4-6H,2-3H2,1H3
InChIKeyIETPBWLTYJTNJG-UHFFFAOYSA-N
XLogP0.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(pyrimidin-5-ylmethylamino)propanoate
CID 62758953
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-(2-chloropyrimidin-5-yl)propanoate
CID 146344248
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate
CID 144659274
methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate
CID 174467407
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 3-(3-ethyl-4-pyridinyl)propanoate
CID 174235269
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
CID 159099314

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrimidin-5-ylpropanoate?
The IUPAC name of methyl 3-pyrimidin-5-ylpropanoate (CID 18470121) is methyl 3-pyrimidin-5-ylpropanoate.
What is the SMILES notation for methyl 3-pyrimidin-5-ylpropanoate?
The canonical SMILES for methyl 3-pyrimidin-5-ylpropanoate is COC(=O)CCc1cncnc1.
What is the InChIKey of methyl 3-pyrimidin-5-ylpropanoate?
The InChIKey is IETPBWLTYJTNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-8(11)3-2-7-4-9-6-10-5-7/h4-6H,2-3H2,1H3.
What are the key properties of methyl 3-pyrimidin-5-ylpropanoate?
methyl 3-pyrimidin-5-ylpropanoate has a molecular weight of 166.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrimidin-5-ylpropanoate is sourced from PubChem (CID 18470121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).