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

C12H18FN3O2 — CID 103952345

IUPACmethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1ncnc(CC)c1F
InChIInChI=1S/C12H18FN3O2/c1-4-6-16(7-10(17)18-3)12-11(13)9(5-2)14-8-15-12/h8H,4-7H2,1-3H3
InChIKeyMONDDUFDSYLEJD-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.57
Rot. Bonds6

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

methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate (PubChem CID 103952345) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate
PubChem CID103952345
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Namemethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1ncnc(CC)c1F
InChIInChI=1S/C12H18FN3O2/c1-4-6-16(7-10(17)18-3)12-11(13)9(5-2)14-8-15-12/h8H,4-7H2,1-3H3
InChIKeyMONDDUFDSYLEJD-UHFFFAOYSA-N
XLogP1.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]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)-propylamino]acetate?
The IUPAC name of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate (CID 103952345) is methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate is CCCN(CC(=O)OC)c1ncnc(CC)c1F.
What is the InChIKey of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate?
The InChIKey is MONDDUFDSYLEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-4-6-16(7-10(17)18-3)12-11(13)9(5-2)14-8-15-12/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate?
methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-propylamino]acetate has a molecular weight of 255.29 g/mol, XLogP of 1.57, 6 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)-propylamino]acetate is sourced from PubChem (CID 103952345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).