methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate

C7H9N3O3 — CID 136955988

IUPACmethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H9N3O3/c1-13-7(12)3-8-5-2-6(11)10-4-9-5/h2,4H,3H2,1H3,(H2,8,9,10,11)
InChIKeyKJNICEQXDGEISN-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.65
Rot. Bonds3

About methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate

methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136955988) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136955988
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H9N3O3/c1-13-7(12)3-8-5-2-6(11)10-4-9-5/h2,4H,3H2,1H3,(H2,8,9,10,11)
InChIKeyKJNICEQXDGEISN-UHFFFAOYSA-N
XLogP-0.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 54286930
methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135763980
6-((2,2-Dimethoxyethyl)amino)pyrimidin-4-ol
CID 136713910
4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955871
4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136955889
4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136955941
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955985
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955986
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955987
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956085
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956088
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136956149

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136955988) is methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate is COC(=O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is KJNICEQXDGEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-7(12)3-8-5-2-6(11)10-4-9-5/h2,4H,3H2,1H3,(H2,8,9,10,11).
What are the key properties of methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 183.17 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136955988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).