ethyl 2-(4-aminopyrimidin-2-yl)acetate

C8H11N3O2 — CID 133058432

IUPACethyl 2-(4-aminopyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nccc(N)n1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)5-7-10-4-3-6(9)11-7/h3-4H,2,5H2,1H3,(H2,9,10,11)
InChIKeyZMHDKXAZKPGKHI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.16
Rot. Bonds3

About ethyl 2-(4-aminopyrimidin-2-yl)acetate

ethyl 2-(4-aminopyrimidin-2-yl)acetate (PubChem CID 133058432) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 2-(4-aminopyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-aminopyrimidin-2-yl)acetate
PubChem CID133058432
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-(4-aminopyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nccc(N)n1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)5-7-10-4-3-6(9)11-7/h3-4H,2,5H2,1H3,(H2,9,10,11)
InChIKeyZMHDKXAZKPGKHI-UHFFFAOYSA-N
XLogP0.16
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-aminopyrimidin-2-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

Related Compounds

ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
CID 13060218
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate
CID 133098459
ethyl 2-(2-amino-3-bromo-4-pyridinyl)acetate
CID 133098465
2-(methoxymethyl)pyrimidin-4-amine
CID 161338001
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134665311
ethyl 2-thieno[3,2-b]pyridin-7-ylacetate
CID 67338527
ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
ethyl 2-(1,2,4-thiadiazol-3-yl)acetate
CID 21458513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminopyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(4-aminopyrimidin-2-yl)acetate (CID 133058432) is ethyl 2-(4-aminopyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-aminopyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-aminopyrimidin-2-yl)acetate is CCOC(=O)Cc1nccc(N)n1.
What is the InChIKey of ethyl 2-(4-aminopyrimidin-2-yl)acetate?
The InChIKey is ZMHDKXAZKPGKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-13-8(12)5-7-10-4-3-6(9)11-7/h3-4H,2,5H2,1H3,(H2,9,10,11).
What are the key properties of ethyl 2-(4-aminopyrimidin-2-yl)acetate?
ethyl 2-(4-aminopyrimidin-2-yl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminopyrimidin-2-yl)acetate is sourced from PubChem (CID 133058432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).