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

C12H18FN3O2 — CID 103907749

IUPACethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1ncnc(C)c1F
InChIInChI=1S/C12H18FN3O2/c1-4-6-16(7-10(17)18-5-2)12-11(13)9(3)14-8-15-12/h8H,4-7H2,1-3H3
InChIKeyVZODOJZGXMIHSQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.70
Rot. Bonds6

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

ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate (PubChem CID 103907749) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
PubChem CID103907749
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Nameethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1ncnc(C)c1F
InChIInChI=1S/C12H18FN3O2/c1-4-6-16(7-10(17)18-5-2)12-11(13)9(3)14-8-15-12/h8H,4-7H2,1-3H3
InChIKeyVZODOJZGXMIHSQ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103081962
ethyl 2-[propyl(7H-purin-6-yl)amino]acetate
CID 62004761
ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 62007024
ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate
CID 62006648
ethyl 2-[(5-methyl-4-nitro-2-pyridinyl)-propylamino]acetate
CID 83271526
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
CID 114838168
ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate
CID 64584141
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
CID 66285332
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
CID 136989669
ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate (CID 103907749) is ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate is CCCN(CC(=O)OCC)c1ncnc(C)c1F.
What is the InChIKey of ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate?
The InChIKey is VZODOJZGXMIHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-4-6-16(7-10(17)18-5-2)12-11(13)9(3)14-8-15-12/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate?
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate has a molecular weight of 255.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate is sourced from PubChem (CID 103907749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).