methyl 3-pyrimidin-2-ylpropanoate

C8H10N2O2 — CID 116998349

IUPACmethyl 3-pyrimidin-2-ylpropanoate
SMILESCOC(=O)CCc1ncccn1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)4-3-7-9-5-2-6-10-7/h2,5-6H,3-4H2,1H3
InChIKeyYGCYUDQDPCRELJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.58
Rot. Bonds3

About methyl 3-pyrimidin-2-ylpropanoate

methyl 3-pyrimidin-2-ylpropanoate (PubChem CID 116998349) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 3-pyrimidin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-pyrimidin-2-ylpropanoate
PubChem CID116998349
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 3-pyrimidin-2-ylpropanoate
SMILESCOC(=O)CCc1ncccn1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)4-3-7-9-5-2-6-10-7/h2,5-6H,3-4H2,1H3
InChIKeyYGCYUDQDPCRELJ-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

2-Pyrimidinecarboxylic acid, methyl ester
CID 3613871
Ethyl 3-oxo-3-(pyrimidin-2-yl)propanoate
CID 22925160
2-Pyrimidineacetic Acid
CID 12367098
2-Pyrimidineacetic acid ethyl ester
CID 12367105
2-Pyrimidinecarboxylic acid, ethyl ester
CID 13360715
(s)-2-Amino-3-(pyrimidin-2-yl)propanoic acid
CID 3246327
3-(Pyrimidin-2-yl)propanoic acid
CID 5152885
Methyl 2-(pyrimidin-2-yl)acetate
CID 12420762
Methyl 4-methyl-2-pyrimidineacetate
CID 77134633
2-Amino-3-(pyrimidin-2-yl)propanoic acid dihydrochloride
CID 122156706
2-(2,2-Dimethoxyethyl)pyrimidine
CID 122163253
Ethyl 2-amino-3-(pyrimidin-2-yl)propanoate dihydrochloride
CID 137935699

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrimidin-2-ylpropanoate?
The IUPAC name of methyl 3-pyrimidin-2-ylpropanoate (CID 116998349) is methyl 3-pyrimidin-2-ylpropanoate.
What is the SMILES notation for methyl 3-pyrimidin-2-ylpropanoate?
The canonical SMILES for methyl 3-pyrimidin-2-ylpropanoate is COC(=O)CCc1ncccn1.
What is the InChIKey of methyl 3-pyrimidin-2-ylpropanoate?
The InChIKey is YGCYUDQDPCRELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-8(11)4-3-7-9-5-2-6-10-7/h2,5-6H,3-4H2,1H3.
What are the key properties of methyl 3-pyrimidin-2-ylpropanoate?
methyl 3-pyrimidin-2-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-2-ylpropanoate is sourced from PubChem (CID 116998349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).