4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane

C12H15FN2O4 — CID 167445812

IUPAC4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
SMILESC#COc1ccn(C2CCC(CO)O2)c(=O)n1.CF
InChIInChI=1S/C11H12N2O4.CH3F/c1-2-16-9-5-6-13(11(15)12-9)10-4-3-8(7-14)17-10;1-2/h1,5-6,8,10,14H,3-4,7H2;1H3
InChIKeyIDOPMTNKPSPVEK-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.47
Rot. Bonds3

About 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane

4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane (PubChem CID 167445812) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane.

Molecular Properties

Compound Name4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
PubChem CID167445812
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
SMILESC#COc1ccn(C2CCC(CO)O2)c(=O)n1.CF
InChIInChI=1S/C11H12N2O4.CH3F/c1-2-16-9-5-6-13(11(15)12-9)10-4-3-8(7-14)17-10;1-2/h1,5-6,8,10,14H,3-4,7H2;1H3
InChIKeyIDOPMTNKPSPVEK-UHFFFAOYSA-N
XLogP0.47
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane 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

4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 169201542
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
N'-[1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 19821113
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
benzyl N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 10665195
3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 56977811
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
4-amino-1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidin-2-one
CID 23261046

Frequently Asked Questions

What is the IUPAC name of 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane?
The IUPAC name of 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane (CID 167445812) is 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane.
What is the SMILES notation for 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane?
The canonical SMILES for 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane is C#COc1ccn(C2CCC(CO)O2)c(=O)n1.CF.
What is the InChIKey of 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane?
The InChIKey is IDOPMTNKPSPVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4.CH3F/c1-2-16-9-5-6-13(11(15)12-9)10-4-3-8(7-14)17-10;1-2/h1,5-6,8,10,14H,3-4,7H2;1H3.
What are the key properties of 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane?
4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane has a molecular weight of 270.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane is sourced from PubChem (CID 167445812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).