methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate

C8H10N2O4 — CID 141215803

IUPACmethyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-14-6(11)3-2-5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyNRQJRKSWMOUGEY-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.83
Rot. Bonds3

About methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate

methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate (PubChem CID 141215803) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate
PubChem CID141215803
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-14-6(11)3-2-5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyNRQJRKSWMOUGEY-UHFFFAOYSA-N
XLogP-0.83
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate?
The IUPAC name of methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate (CID 141215803) is methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate is COC(=O)CCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate?
The InChIKey is NRQJRKSWMOUGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-14-6(11)3-2-5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13).
What are the key properties of methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate?
methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate has a molecular weight of 198.18 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate is sourced from PubChem (CID 141215803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).