ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate

C11H16N4O4 — CID 146387677

IUPACethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O4/c1-3-19-9(17)4-5-12-11(18)15-10-13-7(2)6-8(16)14-10/h6H,3-5H2,1-2H3,(H3,12,13,14,15,16,18)
InChIKeyXRZUJAALYOPVLF-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.15
Rot. Bonds5

About ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate

ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate (PubChem CID 146387677) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate
PubChem CID146387677
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Nameethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O4/c1-3-19-9(17)4-5-12-11(18)15-10-13-7(2)6-8(16)14-10/h6H,3-5H2,1-2H3,(H3,12,13,14,15,16,18)
InChIKeyXRZUJAALYOPVLF-UHFFFAOYSA-N
XLogP0.15
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate?
The IUPAC name of ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate (CID 146387677) is ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate is CCOC(=O)CCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate?
The InChIKey is XRZUJAALYOPVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-3-19-9(17)4-5-12-11(18)15-10-13-7(2)6-8(16)14-10/h6H,3-5H2,1-2H3,(H3,12,13,14,15,16,18).
What are the key properties of ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate?
ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate has a molecular weight of 268.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate is sourced from PubChem (CID 146387677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).