methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate

C10H14N2O4 — CID 68844979

IUPACmethyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(OC)nc1OC
InChIInChI=1S/C10H14N2O4/c1-14-8(13)5-4-7-6-11-10(16-3)12-9(7)15-2/h6H,4-5H2,1-3H3
InChIKeyPKVWJQAJCDQKKI-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.60
Rot. Bonds5

About methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate

methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate (PubChem CID 68844979) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate
PubChem CID68844979
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(OC)nc1OC
InChIInChI=1S/C10H14N2O4/c1-14-8(13)5-4-7-6-11-10(16-3)12-9(7)15-2/h6H,4-5H2,1-3H3
InChIKeyPKVWJQAJCDQKKI-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

Analyze methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate?
The IUPAC name of methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate (CID 68844979) is methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate is COC(=O)CCc1cnc(OC)nc1OC.
What is the InChIKey of methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate?
The InChIKey is PKVWJQAJCDQKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-14-8(13)5-4-7-6-11-10(16-3)12-9(7)15-2/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate?
methyl 3-(2,4-dimethoxypyrimidin-5-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-(2,4-dimethoxypyrimidin-5-yl)propanoate is sourced from PubChem (CID 68844979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).