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

C9H13N3O3 — CID 136956086

IUPACmethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H13N3O3/c1-5(9(14)15-3)10-7-4-8(13)12-6(2)11-7/h4-5H,1-3H3,(H2,10,11,12,13)
InChIKeyGDZIVSIXIOCONZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.05
Rot. Bonds3

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

methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (PubChem CID 136956086) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
PubChem CID136956086
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H13N3O3/c1-5(9(14)15-3)10-7-4-8(13)12-6(2)11-7/h4-5H,1-3H3,(H2,10,11,12,13)
InChIKeyGDZIVSIXIOCONZ-UHFFFAOYSA-N
XLogP0.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate with MolForge

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Related Compounds

ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)methylcarbamoylamino]acetate
CID 136455000
4-(ethylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136818890
4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955869
4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955887
4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955939
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955986
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956088
ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136956150
methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956203
4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956385
ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956410
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956412

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (CID 136956086) is methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is COC(=O)C(C)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The InChIKey is GDZIVSIXIOCONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5(9(14)15-3)10-7-4-8(13)12-6(2)11-7/h4-5H,1-3H3,(H2,10,11,12,13).
What are the key properties of methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate has a molecular weight of 211.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 136956086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).