ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate

C10H13N3O2 — CID 156823560

IUPACethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C/N)c1nccc(C)n1
InChIInChI=1S/C10H13N3O2/c1-3-15-10(14)8(6-11)9-12-5-4-7(2)13-9/h4-6H,3,11H2,1-2H3/b8-6+
InChIKeyBHQORLXWYHGPNG-SOFGYWHQSA-N
MW207.23 g/mol
LogP0.65
Rot. Bonds3

About ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate

ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate (PubChem CID 156823560) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate
PubChem CID156823560
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Nameethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C/N)c1nccc(C)n1
InChIInChI=1S/C10H13N3O2/c1-3-15-10(14)8(6-11)9-12-5-4-7(2)13-9/h4-6H,3,11H2,1-2H3/b8-6+
InChIKeyBHQORLXWYHGPNG-SOFGYWHQSA-N
XLogP0.65
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate 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 3-amino-2-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]prop-2-enoate
CID 174097840
ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate
CID 174097987
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
propan-2-yl 4-methylpyrimidine-2-carboxylate
CID 130832729
N,4-dimethylpyrimidine-2-carboxamide
CID 127011220
ethyl (Z)-3-amino-2-(7H-purin-6-yl)prop-2-enoate
CID 13486110
ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate
CID 171865570
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
2-ethoxy-N-(4-methylpyrimidin-2-yl)acetamide
CID 7336905
ethyl (E)-3-amino-2-(5-bromo-4-chloro-2-pyridinyl)prop-2-enoate
CID 169165829
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
ethyl 2-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylacetate
CID 79357158

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate (CID 156823560) is ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate is CCOC(=O)/C(=C/N)c1nccc(C)n1.
What is the InChIKey of ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate?
The InChIKey is BHQORLXWYHGPNG-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-15-10(14)8(6-11)9-12-5-4-7(2)13-9/h4-6H,3,11H2,1-2H3/b8-6+.
What are the key properties of ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate?
ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate has a molecular weight of 207.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-amino-2-(4-methylpyrimidin-2-yl)prop-2-enoate is sourced from PubChem (CID 156823560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).