5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one

C10H14BrClN2O2 — CID 107706078

IUPAC5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCCCCCO
InChIInChI=1S/C10H14BrClN2O2/c11-8-9(12)13-7-14(10(8)16)5-3-1-2-4-6-15/h7,15H,1-6H2
InChIKeyVYCHWFCOAFISJK-UHFFFAOYSA-N
MW309.59 g/mol
LogP2.21
Rot. Bonds6

About 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one

5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one (PubChem CID 107706078) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
PubChem CID107706078
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCCCCCO
InChIInChI=1S/C10H14BrClN2O2/c11-8-9(12)13-7-14(10(8)16)5-3-1-2-4-6-15/h7,15H,1-6H2
InChIKeyVYCHWFCOAFISJK-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one (CID 107706078) is 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CCCCCCO.
What is the InChIKey of 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
The InChIKey is VYCHWFCOAFISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2/c11-8-9(12)13-7-14(10(8)16)5-3-1-2-4-6-15/h7,15H,1-6H2.
What are the key properties of 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one has a molecular weight of 309.59 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one is sourced from PubChem (CID 107706078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).