6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

C11H17ClN2O4 — CID 103182148

IUPAC6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C11H17ClN2O4/c1-16-5-3-6-18-7-4-14-8-13-10(12)9(17-2)11(14)15/h8H,3-7H2,1-2H3
InChIKeyFHUOIVXYEDCOQI-UHFFFAOYSA-N
MW276.72 g/mol
LogP0.96
Rot. Bonds8

About 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (PubChem CID 103182148) has the molecular formula C11H17ClN2O4 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
PubChem CID103182148
Molecular FormulaC11H17ClN2O4
Molecular Weight276.72 g/mol
Exact Mass276.09
IUPAC Name6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C11H17ClN2O4/c1-16-5-3-6-18-7-4-14-8-13-10(12)9(17-2)11(14)15/h8H,3-7H2,1-2H3
InChIKeyFHUOIVXYEDCOQI-UHFFFAOYSA-N
XLogP0.96
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 50.96
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

6-Chloro-5-methoxy-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114585128
6-Chloro-5-methoxy-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114585152
6-Chloro-3-(2-fluoroethyl)-5-methoxypyrimidin-4-one
CID 114585376
6-Chloro-3-(3-fluoropropyl)-5-methoxypyrimidin-4-one
CID 114585453
6-Chloro-5-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114585481
6-Chloro-5-methoxy-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114585497
3-Ethyl-5-(2-methylpropoxy)pyrimidin-4-one
CID 156479930
6-Chloro-5-methoxy-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036368
6-Chloro-5-methoxy-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411734
6-Chloro-5-methoxy-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455834
6-Chloro-5-methoxy-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455835
6-Chloro-5-methoxy-3-pentan-2-ylpyrimidin-4-one
CID 107885740

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (CID 103182148) is 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is COCCCOCCn1cnc(Cl)c(OC)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The InChIKey is FHUOIVXYEDCOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4/c1-16-5-3-6-18-7-4-14-8-13-10(12)9(17-2)11(14)15/h8H,3-7H2,1-2H3.
What are the key properties of 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one has a molecular weight of 276.72 g/mol, XLogP of 0.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 103182148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).