5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

C10H14BrClN2O2 — CID 106455824

IUPAC5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H14BrClN2O2/c1-7(2)5-16-4-3-14-6-13-9(12)8(11)10(14)15/h6-7H,3-5H2,1-2H3
InChIKeyJQMVVMZSNBGRJW-UHFFFAOYSA-N
MW309.59 g/mol
LogP2.33
Rot. Bonds5

About 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (PubChem CID 106455824) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
PubChem CID106455824
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H14BrClN2O2/c1-7(2)5-16-4-3-14-6-13-9(12)8(11)10(14)15/h6-7H,3-5H2,1-2H3
InChIKeyJQMVVMZSNBGRJW-UHFFFAOYSA-N
XLogP2.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-6-chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114583703
5-Bromo-3-(2-ethoxyethyl)pyrimidin-4-one
CID 66307878
5-Bromo-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
CID 66308127
5-Bromo-3-[2-(2-chloroethoxy)ethyl]pyrimidin-4-one
CID 66308479
5-Bromo-3-(2-butoxyethyl)pyrimidin-4-one
CID 66308713
5-Bromo-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
CID 66308913
5-Bromo-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 66308933
5-Bromo-3-[2-(2-chloroethoxy)ethyl]-6-methylpyrimidin-4-one
CID 66309387
5-Bromo-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 66310638
5-Bromo-6-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 66310902
5-Bromo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182040
5-Bromo-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182136

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (CID 106455824) is 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is CC(C)COCCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The InChIKey is JQMVVMZSNBGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2/c1-7(2)5-16-4-3-14-6-13-9(12)8(11)10(14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one has a molecular weight of 309.59 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 106455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).