methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate

C7H9N3O3 — CID 39846551

IUPACmethyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C7H9N3O3/c1-13-6(11)4-10-3-2-5(8)9-7(10)12/h2-3H,4H2,1H3,(H2,8,9,12)
InChIKeyFINMTVTXJQDPCG-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.00
Rot. Bonds2

About methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate

methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate (PubChem CID 39846551) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate
PubChem CID39846551
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C7H9N3O3/c1-13-6(11)4-10-3-2-5(8)9-7(10)12/h2-3H,4H2,1H3,(H2,8,9,12)
InChIKeyFINMTVTXJQDPCG-UHFFFAOYSA-N
XLogP-1.00
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate 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 2-(4-amino-2-oxopyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate (CID 39846551) is methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate is COC(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate?
The InChIKey is FINMTVTXJQDPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-6(11)4-10-3-2-5(8)9-7(10)12/h2-3H,4H2,1H3,(H2,8,9,12).
What are the key properties of methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate?
methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate has a molecular weight of 183.17 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 39846551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).