6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one

C11H17ClN2O3 — CID 103182124

IUPAC6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one
SMILESCOCCCOCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O3/c1-9-13-10(12)8-11(15)14(9)4-7-17-6-3-5-16-2/h8H,3-7H2,1-2H3
InChIKeyJSAWFIPCEXAONV-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.26
Rot. Bonds7

About 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one

6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one (PubChem CID 103182124) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one
PubChem CID103182124
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Name6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one
SMILESCOCCCOCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O3/c1-9-13-10(12)8-11(15)14(9)4-7-17-6-3-5-16-2/h8H,3-7H2,1-2H3
InChIKeyJSAWFIPCEXAONV-UHFFFAOYSA-N
XLogP1.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-2-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 113604634
6-Chloro-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114581981
6-Chloro-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114581999
6-Chloro-2-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114584477
6-Chloro-2-ethyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114584491
2-Amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525153
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
2,3-Dimethyl-6-morpholin-4-ylpyrimidin-4-one
CID 123808604
3-[2-(2-Chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63768296
5-Iodo-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one
CID 103182056
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182127

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one (CID 103182124) is 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one is COCCCOCCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one?
The InChIKey is JSAWFIPCEXAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3/c1-9-13-10(12)8-11(15)14(9)4-7-17-6-3-5-16-2/h8H,3-7H2,1-2H3.
What are the key properties of 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one?
6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one has a molecular weight of 260.72 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 103182124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).