methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate

C10H14FN3O2 — CID 103952338

IUPACmethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate
SMILESCCc1ncnc(N(C)CC(=O)OC)c1F
InChIInChI=1S/C10H14FN3O2/c1-4-7-9(11)10(13-6-12-7)14(2)5-8(15)16-3/h6H,4-5H2,1-3H3
InChIKeyOLTMUMWPINKJLM-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.79
Rot. Bonds4

About methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate

methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate (PubChem CID 103952338) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate
PubChem CID103952338
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Namemethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate
SMILESCCc1ncnc(N(C)CC(=O)OC)c1F
InChIInChI=1S/C10H14FN3O2/c1-4-7-9(11)10(13-6-12-7)14(2)5-8(15)16-3/h6H,4-5H2,1-3H3
InChIKeyOLTMUMWPINKJLM-UHFFFAOYSA-N
XLogP0.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate 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 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate (CID 103952338) is methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate is CCc1ncnc(N(C)CC(=O)OC)c1F.
What is the InChIKey of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate?
The InChIKey is OLTMUMWPINKJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-4-7-9(11)10(13-6-12-7)14(2)5-8(15)16-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate?
methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate has a molecular weight of 227.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]acetate is sourced from PubChem (CID 103952338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).