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

C10H15N3O3 — CID 136956410

IUPACethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)6(2)11-8-5-9(14)13-7(3)12-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyZMORIYDXYZOCMK-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.44
Rot. Bonds4

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

ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (PubChem CID 136956410) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
PubChem CID136956410
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)6(2)11-8-5-9(14)13-7(3)12-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyZMORIYDXYZOCMK-UHFFFAOYSA-N
XLogP0.44
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 2-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoylamino]acetate
CID 136344715
ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)methylcarbamoylamino]acetate
CID 136455000
2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one
CID 136818888
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-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956086
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
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136956152

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (CID 136956410) is ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is CCOC(=O)C(C)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The InChIKey is ZMORIYDXYZOCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-16-10(15)6(2)11-8-5-9(14)13-7(3)12-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 136956410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).