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

C10H14Cl2N2O3 — CID 103182134

IUPAC5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O3/c1-16-4-2-5-17-6-3-14-7-13-9(12)8(11)10(14)15/h7H,2-6H2,1H3
InChIKeyDMHMJLVLRYFZJG-UHFFFAOYSA-N
MW281.14 g/mol
LogP1.60
Rot. Bonds7

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

5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (PubChem CID 103182134) has the molecular formula C10H14Cl2N2O3 and a molecular weight of 281.14 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
PubChem CID103182134
Molecular FormulaC10H14Cl2N2O3
Molecular Weight281.14 g/mol
Exact Mass280.04
IUPAC Name5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O3/c1-16-4-2-5-17-6-3-14-7-13-9(12)8(11)10(14)15/h7H,2-6H2,1H3
InChIKeyDMHMJLVLRYFZJG-UHFFFAOYSA-N
XLogP1.60
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 51.60
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

5,6-Dichloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114583273
5,6-Dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114583292
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182127
5-Bromo-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182136
6-Chloro-5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182140
5,6-Dichloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411727
6-Chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455818
6-Chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455819
5,6-Dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455822
5,6-Dichloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455823
5-Bromo-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455825

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (CID 103182134) is 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is COCCCOCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The InChIKey is DMHMJLVLRYFZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3/c1-16-4-2-5-17-6-3-14-7-13-9(12)8(11)10(14)15/h7H,2-6H2,1H3.
What are the key properties of 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one has a molecular weight of 281.14 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 103182134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).