ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate

C10H15N3O2 — CID 62006262

IUPACethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1ccncn1
InChIInChI=1S/C10H15N3O2/c1-3-13(7-10(14)15-4-2)9-5-6-11-8-12-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNXZNACBGZZEYTH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.87
Rot. Bonds5

About ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate

ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate (PubChem CID 62006262) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
PubChem CID62006262
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1ccncn1
InChIInChI=1S/C10H15N3O2/c1-3-13(7-10(14)15-4-2)9-5-6-11-8-12-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNXZNACBGZZEYTH-UHFFFAOYSA-N
XLogP0.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate (CID 62006262) is ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate is CCOC(=O)CN(CC)c1ccncn1.
What is the InChIKey of ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate?
The InChIKey is NXZNACBGZZEYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-13(7-10(14)15-4-2)9-5-6-11-8-12-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate?
ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate has a molecular weight of 209.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 62006262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).