methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate

C10H14N2O2 — CID 70098742

IUPACmethyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate
SMILESCOC(=O)CCc1nc(C)cc(C)n1
InChIInChI=1S/C10H14N2O2/c1-7-6-8(2)12-9(11-7)4-5-10(13)14-3/h6H,4-5H2,1-3H3
InChIKeyBCCWLQBAPXBKAJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.20
Rot. Bonds3

About methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate

methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate (PubChem CID 70098742) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate
PubChem CID70098742
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate
SMILESCOC(=O)CCc1nc(C)cc(C)n1
InChIInChI=1S/C10H14N2O2/c1-7-6-8(2)12-9(11-7)4-5-10(13)14-3/h6H,4-5H2,1-3H3
InChIKeyBCCWLQBAPXBKAJ-UHFFFAOYSA-N
XLogP1.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate?
The IUPAC name of methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate (CID 70098742) is methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate?
The canonical SMILES for methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate is COC(=O)CCc1nc(C)cc(C)n1.
What is the InChIKey of methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate?
The InChIKey is BCCWLQBAPXBKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-8(2)12-9(11-7)4-5-10(13)14-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate?
methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate is sourced from PubChem (CID 70098742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).