methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate

C10H14N4O4 — CID 116796877

IUPACmethyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nccc(N)n1
InChIInChI=1S/C10H14N4O4/c1-17-8(15)5-14(6-9(16)18-2)10-12-4-3-7(11)13-10/h3-4H,5-6H2,1-2H3,(H2,11,12,13)
InChIKeyWXYKICOFRGMWGP-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.79
Rot. Bonds5

About methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 116796877) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID116796877
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Namemethyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nccc(N)n1
InChIInChI=1S/C10H14N4O4/c1-17-8(15)5-14(6-9(16)18-2)10-12-4-3-7(11)13-10/h3-4H,5-6H2,1-2H3,(H2,11,12,13)
InChIKeyWXYKICOFRGMWGP-UHFFFAOYSA-N
XLogP-0.79
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796876
2-N,2-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 115978115
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
CID 116796533
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103204961
methyl 2-[(4-carbamothioyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956262
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate
CID 80647804

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 116796877) is methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)c1nccc(N)n1.
What is the InChIKey of methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is WXYKICOFRGMWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-17-8(15)5-14(6-9(16)18-2)10-12-4-3-7(11)13-10/h3-4H,5-6H2,1-2H3,(H2,11,12,13).
What are the key properties of methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 254.25 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 116796877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).