methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate

C8H11N3O3 — CID 586684

IUPACmethyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-11(5-7(12)14-2)6-3-4-9-8(13)10-6/h3-4H,5H2,1-2H3,(H,9,10,13)
InChIKeyWZNARBAWPNCYKP-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.62
Rot. Bonds3

About methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate

methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate (PubChem CID 586684) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate
PubChem CID586684
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-11(5-7(12)14-2)6-3-4-9-8(13)10-6/h3-4H,5H2,1-2H3,(H,9,10,13)
InChIKeyWZNARBAWPNCYKP-UHFFFAOYSA-N
XLogP-0.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-acetate
CID 580018
Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-propanoate
CID 586658
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate
CID 67800644
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate
CID 70376493
Tert-butyl 2-(6-amino-2-oxopyrimidin-1-yl)acetate
CID 140408625
Ethyl 2-(6-amino-2-oxopyrimidin-1-yl)acetate
CID 140411655
Methyl 2-(6-amino-2-oxopyrimidin-1-yl)acetate
CID 141606585
2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
CID 119090100

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate (CID 586684) is methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate is COC(=O)CN(C)c1ccnc(=O)[nH]1.
What is the InChIKey of methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate?
The InChIKey is WZNARBAWPNCYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(5-7(12)14-2)6-3-4-9-8(13)10-6/h3-4H,5H2,1-2H3,(H,9,10,13).
What are the key properties of methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate?
methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate has a molecular weight of 197.19 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetate is sourced from PubChem (CID 586684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).