ethyl 2-(pyrimidin-4-ylmethylamino)propanoate

C10H15N3O2 — CID 62749095

IUPACethyl 2-(pyrimidin-4-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCc1ccncn1
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)8(2)12-6-9-4-5-11-7-13-9/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyNVWCFJDNTTVVKG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.52
Rot. Bonds5

About ethyl 2-(pyrimidin-4-ylmethylamino)propanoate

ethyl 2-(pyrimidin-4-ylmethylamino)propanoate (PubChem CID 62749095) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 2-(pyrimidin-4-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(pyrimidin-4-ylmethylamino)propanoate
PubChem CID62749095
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 2-(pyrimidin-4-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCc1ccncn1
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)8(2)12-6-9-4-5-11-7-13-9/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyNVWCFJDNTTVVKG-UHFFFAOYSA-N
XLogP0.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrimidin-4-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(pyrimidin-4-ylmethylamino)propanoate (CID 62749095) is ethyl 2-(pyrimidin-4-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(pyrimidin-4-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(pyrimidin-4-ylmethylamino)propanoate is CCOC(=O)C(C)NCc1ccncn1.
What is the InChIKey of ethyl 2-(pyrimidin-4-ylmethylamino)propanoate?
The InChIKey is NVWCFJDNTTVVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-10(14)8(2)12-6-9-4-5-11-7-13-9/h4-5,7-8,12H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(pyrimidin-4-ylmethylamino)propanoate?
ethyl 2-(pyrimidin-4-ylmethylamino)propanoate has a molecular weight of 209.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrimidin-4-ylmethylamino)propanoate is sourced from PubChem (CID 62749095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).