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

C7H9N3O3 — CID 580018

IUPACmethyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate
SMILESCOC(=O)CNc1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-13-6(11)4-9-5-2-3-8-7(12)10-5/h2-3H,4H2,1H3,(H2,8,9,10,12)
InChIKeyUGPBGCBYBQCSKL-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.65
Rot. Bonds3

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

methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate (PubChem CID 580018) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate
PubChem CID580018
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate
SMILESCOC(=O)CNc1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-13-6(11)4-9-5-2-3-8-7(12)10-5/h2-3H,4H2,1H3,(H2,8,9,10,12)
InChIKeyUGPBGCBYBQCSKL-UHFFFAOYSA-N
XLogP-0.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

N-(2-Oxo-2,3-dihydropyrimidin-4-yl)glycine
CID 352579
Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-propanoate
CID 586658
Methyl 2-[N-methyl-N-(1H-2-oxo-4-pyrimidinyl)amino]-acetate
CID 586684
2-amino-2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
CID 69391627
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate
CID 70376493
Ethyl 1,2-dihydropyrimidine-2-carboxylate
CID 130412496
Ethyl 2-(6-amino-2-oxopyrimidin-1-yl)acetate
CID 140411655
Methyl 2-(6-amino-2-oxopyrimidin-1-yl)acetate
CID 141606585
methyl 2-amino-1H-pyrimidine-2-carboxylate
CID 172853441
Methyl 1,2-dihydropyrimidine-2-carboxylate
CID 173468800
6-(2-methoxyethylamino)-1H-pyrimidin-2-one
CID 175713427
2-[methyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
CID 119090100

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate (CID 580018) is methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate is COC(=O)CNc1ccnc(=O)[nH]1.
What is the InChIKey of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate?
The InChIKey is UGPBGCBYBQCSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-6(11)4-9-5-2-3-8-7(12)10-5/h2-3H,4H2,1H3,(H2,8,9,10,12).
What are the key properties of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate?
methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate has a molecular weight of 183.17 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetate is sourced from PubChem (CID 580018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).