ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate

C10H15N3O3 — CID 164908000

IUPACethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCc1cnc(N)nc1OC
InChIInChI=1S/C10H15N3O3/c1-3-16-8(14)5-4-7-6-12-10(11)13-9(7)15-2/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyIHBHUMHYFYLDSN-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.56
Rot. Bonds5

About ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate

ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate (PubChem CID 164908000) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate
PubChem CID164908000
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCc1cnc(N)nc1OC
InChIInChI=1S/C10H15N3O3/c1-3-16-8(14)5-4-7-6-12-10(11)13-9(7)15-2/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyIHBHUMHYFYLDSN-UHFFFAOYSA-N
XLogP0.56
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate?
The IUPAC name of ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate (CID 164908000) is ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate?
The canonical SMILES for ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate is CCOC(=O)CCc1cnc(N)nc1OC.
What is the InChIKey of ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate?
The InChIKey is IHBHUMHYFYLDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-8(14)5-4-7-6-12-10(11)13-9(7)15-2/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate?
ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-amino-4-methoxypyrimidin-5-yl)propanoate is sourced from PubChem (CID 164908000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).