methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate

C8H10BrN3O3 — CID 137007502

IUPACmethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H10BrN3O3/c1-12(3-5(13)15-2)7-6(9)8(14)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,14)
InChIKeyRALWXKGMPXTURN-UHFFFAOYSA-N
MW276.09 g/mol
LogP0.14
Rot. Bonds3

About methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate

methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate (PubChem CID 137007502) has the molecular formula C8H10BrN3O3 and a molecular weight of 276.09 g/mol. Its IUPAC name is methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
PubChem CID137007502
Molecular FormulaC8H10BrN3O3
Molecular Weight276.09 g/mol
Exact Mass274.99
IUPAC Namemethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H10BrN3O3/c1-12(3-5(13)15-2)7-6(9)8(14)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,14)
InChIKeyRALWXKGMPXTURN-UHFFFAOYSA-N
XLogP0.14
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate with MolForge

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Related Compounds

5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896843
5-bromo-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955870
5-bromo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136955888
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136955940
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955985
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955987
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956087
ethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136956151
ethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956411
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136956437
5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957240
4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136957504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate (CID 137007502) is methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate is COC(=O)CN(C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate?
The InChIKey is RALWXKGMPXTURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O3/c1-12(3-5(13)15-2)7-6(9)8(14)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,14).
What are the key properties of methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate?
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate has a molecular weight of 276.09 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate is sourced from PubChem (CID 137007502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).