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

C8H11N3O3 — CID 136956088

IUPACmethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O3/c1-5(8(13)14-2)11-6-3-7(12)10-4-9-6/h3-5H,1-2H3,(H2,9,10,11,12)
InChIKeyJCYVQGPCKFEUAJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.26
Rot. Bonds3

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

methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate (PubChem CID 136956088) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
PubChem CID136956088
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O3/c1-5(8(13)14-2)11-6-3-7(12)10-4-9-6/h3-5H,1-2H3,(H2,9,10,11,12)
InChIKeyJCYVQGPCKFEUAJ-UHFFFAOYSA-N
XLogP-0.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135763980
4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955871
4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136955941
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955986
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955988
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956085
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956086
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956087
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136956152
methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956205
4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136956387
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956409

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate (CID 136956088) is methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate is COC(=O)C(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The InChIKey is JCYVQGPCKFEUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(8(13)14-2)11-6-3-7(12)10-4-9-6/h3-5H,1-2H3,(H2,9,10,11,12).
What are the key properties of methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate has a molecular weight of 197.19 g/mol, XLogP of -0.26, 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]propanoate is sourced from PubChem (CID 136956088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).