ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate

C12H19N3O2 — CID 62005021

IUPACethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1cc(CC)ncn1
InChIInChI=1S/C12H19N3O2/c1-4-10-8-11(14-9-13-10)15(3)7-6-12(16)17-5-2/h8-9H,4-7H2,1-3H3
InChIKeyIRFVZHYVLXYDNW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.43
Rot. Bonds6

About ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate

ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate (PubChem CID 62005021) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
PubChem CID62005021
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1cc(CC)ncn1
InChIInChI=1S/C12H19N3O2/c1-4-10-8-11(14-9-13-10)15(3)7-6-12(16)17-5-2/h8-9H,4-7H2,1-3H3
InChIKeyIRFVZHYVLXYDNW-UHFFFAOYSA-N
XLogP1.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate (CID 62005021) is ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate is CCOC(=O)CCN(C)c1cc(CC)ncn1.
What is the InChIKey of ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate?
The InChIKey is IRFVZHYVLXYDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-10-8-11(14-9-13-10)15(3)7-6-12(16)17-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate?
ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate is sourced from PubChem (CID 62005021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).