methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate

C11H16FN3O2 — CID 103081962

IUPACmethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1ncnc(C)c1F
InChIInChI=1S/C11H16FN3O2/c1-4-5-15(6-9(16)17-3)11-10(12)8(2)13-7-14-11/h7H,4-6H2,1-3H3
InChIKeyGQRZUMNKNHCLSS-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.31
Rot. Bonds5

About methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate

methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate (PubChem CID 103081962) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
PubChem CID103081962
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Namemethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1ncnc(C)c1F
InChIInChI=1S/C11H16FN3O2/c1-4-5-15(6-9(16)17-3)11-10(12)8(2)13-7-14-11/h7H,4-6H2,1-3H3
InChIKeyGQRZUMNKNHCLSS-UHFFFAOYSA-N
XLogP1.31
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
CID 66318758
methyl 2-[(3-carbamothioylpyrazin-2-yl)-propylamino]acetate
CID 55102898
methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate
CID 66331907
methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate
CID 62927824
methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957317
ethyl 2-[propyl(7H-purin-6-yl)amino]acetate
CID 62004761
methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955735
ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 62007024
methyl 2-[(5-bromo-3-nitro-2-pyridinyl)-propylamino]acetate
CID 62005759
ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate
CID 62006648
methyl 2-(4-methyl-3-nitro-N-propylanilino)acetate
CID 62911973

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate?
The IUPAC name of methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate (CID 103081962) is methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate is CCCN(CC(=O)OC)c1ncnc(C)c1F.
What is the InChIKey of methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate?
The InChIKey is GQRZUMNKNHCLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-4-5-15(6-9(16)17-3)11-10(12)8(2)13-7-14-11/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate?
methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate has a molecular weight of 241.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate is sourced from PubChem (CID 103081962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).