ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate

C10H12N2O3 — CID 170795582

IUPACethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1cnc[nH]c1=O
InChIInChI=1S/C10H12N2O3/c1-2-15-9(13)5-3-4-8-6-11-7-12-10(8)14/h3-4,6-7H,2,5H2,1H3,(H,11,12,14)
InChIKeyYLDWGZBBPQYSSD-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.74
Rot. Bonds4

About ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate

ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate (PubChem CID 170795582) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate
PubChem CID170795582
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1cnc[nH]c1=O
InChIInChI=1S/C10H12N2O3/c1-2-15-9(13)5-3-4-8-6-11-7-12-10(8)14/h3-4,6-7H,2,5H2,1H3,(H,11,12,14)
InChIKeyYLDWGZBBPQYSSD-UHFFFAOYSA-N
XLogP0.74
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-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 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enoate
CID 170796748
4,5-bis[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;methyl acetate
CID 144368856
5-[(E)-prop-1-enyl]-1H-pyrimidin-6-one
CID 176389183
N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
CID 169464888
5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
CID 169473083
methyl 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169478646
ethyl 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169480007
5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
CID 170476017
4-(6-oxo-1H-pyrimidin-5-yl)but-3-enal
CID 170481329
4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoic acid
CID 170483047
N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide
CID 170488112
5-[4-(methylamino)but-1-enyl]-1H-pyrimidin-6-one
CID 170495244

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate?
The IUPAC name of ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate (CID 170795582) is ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate.
What is the SMILES notation for ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate?
The canonical SMILES for ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate is CCOC(=O)CC=Cc1cnc[nH]c1=O.
What is the InChIKey of ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate?
The InChIKey is YLDWGZBBPQYSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-9(13)5-3-4-8-6-11-7-12-10(8)14/h3-4,6-7H,2,5H2,1H3,(H,11,12,14).
What are the key properties of ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate?
ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate has a molecular weight of 208.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoate is sourced from PubChem (CID 170795582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).