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

C10H14N2O4 — CID 4252883

IUPACmethyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate
SMILESCOC(=O)CCc1nc(OC)cc(OC)n1
InChIInChI=1S/C10H14N2O4/c1-14-8-6-9(15-2)12-7(11-8)4-5-10(13)16-3/h6H,4-5H2,1-3H3
InChIKeyLMSUTSWNZSNJOQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.60
Rot. Bonds5

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

methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate (PubChem CID 4252883) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate
PubChem CID4252883
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate
SMILESCOC(=O)CCc1nc(OC)cc(OC)n1
InChIInChI=1S/C10H14N2O4/c1-14-8-6-9(15-2)12-7(11-8)4-5-10(13)16-3/h6H,4-5H2,1-3H3
InChIKeyLMSUTSWNZSNJOQ-UHFFFAOYSA-N
XLogP0.60
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-Trimethoxypyrimidine
CID 726938
4,6-Dimethoxypyrimidine-2-carbonitrile
CID 21466113
4-((2,6-Dimethoxypyrimidin-4-yl)amino)-4-oxobutanoic acid
CID 698516
1-(4,6-Dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
CID 90342170
1-(4,6-Dimethoxypyrimidin-2-yl)propan-2-one
CID 11264052
3-(4,6-Dimethoxypyrimidin-2-yl)propanoic acid
CID 2736220
4,6-Dimethoxypyrimidine-2-carboxylic acid
CID 4422483
Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
CID 4449183
2-(4,6-Dimethoxypyrimidin-2-yl)acetic acid
CID 12420755
Tert-butyl 2-cyano-2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 67959054
4,6-diethoxy-2-methylPyrimidine
CID 12415536
4,6-Dimethoxy-2-methylpyrimidine
CID 11040904

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate?
The IUPAC name of methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate (CID 4252883) is methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate?
The canonical SMILES for methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate is COC(=O)CCc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate?
The InChIKey is LMSUTSWNZSNJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-14-8-6-9(15-2)12-7(11-8)4-5-10(13)16-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate?
methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate is sourced from PubChem (CID 4252883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).