(5-ethoxy-1H-pyrimidin-2-ylidene)methanone

C7H8N2O2 — CID 176538925

IUPAC(5-ethoxy-1H-pyrimidin-2-ylidene)methanone
SMILESCCOC1=CNC(=C=O)N=C1
InChIInChI=1S/C7H8N2O2/c1-2-11-6-3-8-7(5-10)9-4-6/h3-4,8H,2H2,1H3
InChIKeyQSGPJHJFCKEVJJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.21
Rot. Bonds2

About (5-ethoxy-1H-pyrimidin-2-ylidene)methanone

(5-ethoxy-1H-pyrimidin-2-ylidene)methanone (PubChem CID 176538925) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (5-ethoxy-1H-pyrimidin-2-ylidene)methanone.

Molecular Properties

Compound Name(5-ethoxy-1H-pyrimidin-2-ylidene)methanone
PubChem CID176538925
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(5-ethoxy-1H-pyrimidin-2-ylidene)methanone
SMILESCCOC1=CNC(=C=O)N=C1
InChIInChI=1S/C7H8N2O2/c1-2-11-6-3-8-7(5-10)9-4-6/h3-4,8H,2H2,1H3
InChIKeyQSGPJHJFCKEVJJ-UHFFFAOYSA-N
XLogP0.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-ethoxy-1H-pyrimidin-2-ylidene)methanone 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

5-Methoxypyrimidin-2(1H)-one
CID 19816959
5-Ethoxypyrimidin-2-ol
CID 15565268
1,5-dimethoxy-2H-pyrimidin-2-amine
CID 17848171
5-Methoxy-1,2-dihydropyrimidine
CID 19045882
5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
CID 89460216
5-propan-2-yloxy-1H-pyrimidin-2-one
CID 117231345
ethane;5-methoxy-1H-pyrimidin-2-one
CID 144154497
2-Methyl-5-propoxy-1,2-dihydropyrimidine
CID 176962570
5-pentoxy-1H-pyrimidin-2-one
CID 53362930
(2-oxo-1H-pyrimidin-5-yl) acetate
CID 53789766
5-(2-aminoethoxy)-1H-pyrimidin-2-one
CID 117229814
5-(3-aminopropoxy)-1H-pyrimidin-2-one
CID 117229902

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1H-pyrimidin-2-ylidene)methanone?
The IUPAC name of (5-ethoxy-1H-pyrimidin-2-ylidene)methanone (CID 176538925) is (5-ethoxy-1H-pyrimidin-2-ylidene)methanone.
What is the SMILES notation for (5-ethoxy-1H-pyrimidin-2-ylidene)methanone?
The canonical SMILES for (5-ethoxy-1H-pyrimidin-2-ylidene)methanone is CCOC1=CNC(=C=O)N=C1.
What is the InChIKey of (5-ethoxy-1H-pyrimidin-2-ylidene)methanone?
The InChIKey is QSGPJHJFCKEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-11-6-3-8-7(5-10)9-4-6/h3-4,8H,2H2,1H3.
What are the key properties of (5-ethoxy-1H-pyrimidin-2-ylidene)methanone?
(5-ethoxy-1H-pyrimidin-2-ylidene)methanone has a molecular weight of 152.15 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1H-pyrimidin-2-ylidene)methanone is sourced from PubChem (CID 176538925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).