1-(2-chloroethoxymethyl)pyrimidine-2,4-dione

C7H9ClN2O3 — CID 10104376

IUPAC1-(2-chloroethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(COCCCl)c(=O)[nH]1
InChIInChI=1S/C7H9ClN2O3/c8-2-4-13-5-10-3-1-6(11)9-7(10)12/h1,3H,2,4-5H2,(H,9,11,12)
InChIKeyOAZYDBBUBRXSLZ-UHFFFAOYSA-N
MW204.61 g/mol
LogP-0.25
Rot. Bonds4

About 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione

1-(2-chloroethoxymethyl)pyrimidine-2,4-dione (PubChem CID 10104376) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-chloroethoxymethyl)pyrimidine-2,4-dione
PubChem CID10104376
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name1-(2-chloroethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(COCCCl)c(=O)[nH]1
InChIInChI=1S/C7H9ClN2O3/c8-2-4-13-5-10-3-1-6(11)9-7(10)12/h1,3H,2,4-5H2,(H,9,11,12)
InChIKeyOAZYDBBUBRXSLZ-UHFFFAOYSA-N
XLogP-0.25
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl N-(benzenesulfonyl)sulfamate
CID 70686348
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63810752
1-[3-(2-methyl-2-phenylpropyl)sulfonylpropoxymethyl]pyrimidine-2,4-dione
CID 58218183
1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione
CID 10541882
1-[3-[(2R)-2-(2-chlorophenyl)propyl]sulfonylpropoxymethyl]pyrimidine-2,4-dione
CID 58218290
1-[[5-(3,4-dichlorophenyl)sulfonyl-4,4-dimethylpentoxy]methyl]pyrimidine-2,4-dione
CID 58218152
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione (CID 10104376) is 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione is O=c1ccn(COCCCl)c(=O)[nH]1.
What is the InChIKey of 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is OAZYDBBUBRXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c8-2-4-13-5-10-3-1-6(11)9-7(10)12/h1,3H,2,4-5H2,(H,9,11,12).
What are the key properties of 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione?
1-(2-chloroethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 204.61 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10104376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).