ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate

C12H19N3O4 — CID 136989669

IUPACethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H19N3O4/c1-4-6-15(7-9(16)19-5-2)11-10(18-3)12(17)14-8-13-11/h8H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyJLBBPMGOFVHUHD-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.56
Rot. Bonds7

About ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate

ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate (PubChem CID 136989669) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
PubChem CID136989669
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H19N3O4/c1-4-6-15(7-9(16)19-5-2)11-10(18-3)12(17)14-8-13-11/h8H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyJLBBPMGOFVHUHD-UHFFFAOYSA-N
XLogP0.56
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
ethyl 2-[propyl(7H-purin-6-yl)amino]acetate
CID 62004761
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007498
2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 137015754
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007638
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978681
4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972773
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetamide
CID 137009327
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate
CID 62006648
5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
CID 136978148

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate (CID 136989669) is ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate is CCCN(CC(=O)OCC)c1nc[nH]c(=O)c1OC.
What is the InChIKey of ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate?
The InChIKey is JLBBPMGOFVHUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-6-15(7-9(16)19-5-2)11-10(18-3)12(17)14-8-13-11/h8H,4-7H2,1-3H3,(H,13,14,17).
What are the key properties of ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate?
ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate has a molecular weight of 269.30 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate is sourced from PubChem (CID 136989669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).