5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one

C11H16Cl2N2O4 — CID 114582885

IUPAC5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
SMILESCOCCOCCOCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H16Cl2N2O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(13)9(12)11(15)16/h8H,2-7H2,1H3
InChIKeyNSWFFMDLNSGKBF-UHFFFAOYSA-N
MW311.17 g/mol
LogP1.23
Rot. Bonds9

About 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one

5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one (PubChem CID 114582885) has the molecular formula C11H16Cl2N2O4 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
PubChem CID114582885
Molecular FormulaC11H16Cl2N2O4
Molecular Weight311.17 g/mol
Exact Mass310.05
IUPAC Name5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
SMILESCOCCOCCOCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H16Cl2N2O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(13)9(12)11(15)16/h8H,2-7H2,1H3
InChIKeyNSWFFMDLNSGKBF-UHFFFAOYSA-N
XLogP1.23
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134
5,6-Dichloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411727
6-Chloro-5-methoxy-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411734
5,6-Dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455822
5,6-Dichloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455823
6-Chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
CID 113604196
6-Chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one
CID 114581589
6-Chloro-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
CID 114582121
3-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-6-chloropyrimidin-4-one
CID 114582348
5-Amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
CID 114582456
5,6-Dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114582884
3-(2-Butoxyethyl)-5,6-dichloropyrimidin-4-one
CID 114582916

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one (CID 114582885) is 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one is COCCOCCOCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The InChIKey is NSWFFMDLNSGKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(13)9(12)11(15)16/h8H,2-7H2,1H3.
What are the key properties of 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one has a molecular weight of 311.17 g/mol, XLogP of 1.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).