methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate

C8H11N3O3 — CID 135246898

IUPACmethyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(O)cn1
InChIInChI=1S/C8H11N3O3/c1-11(5-7(13)14-2)8-9-3-6(12)4-10-8/h3-4,12H,5H2,1-2H3
InChIKeyPVCPVMGEFUSFFN-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.21
Rot. Bonds3

About methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate

methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate (PubChem CID 135246898) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate
PubChem CID135246898
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(O)cn1
InChIInChI=1S/C8H11N3O3/c1-11(5-7(13)14-2)8-9-3-6(12)4-10-8/h3-4,12H,5H2,1-2H3
InChIKeyPVCPVMGEFUSFFN-UHFFFAOYSA-N
XLogP-0.21
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate (CID 135246898) is methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate is COC(=O)CN(C)c1ncc(O)cn1.
What is the InChIKey of methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate?
The InChIKey is PVCPVMGEFUSFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(5-7(13)14-2)8-9-3-6(12)4-10-8/h3-4,12H,5H2,1-2H3.
What are the key properties of methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate?
methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate has a molecular weight of 197.19 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate is sourced from PubChem (CID 135246898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).