3-(6-chlorohexyl)pyrimidin-4-one

C10H15ClN2O — CID 63768822

IUPAC3-(6-chlorohexyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCCCCCl
InChIInChI=1S/C10H15ClN2O/c11-6-3-1-2-4-8-13-9-12-7-5-10(13)14/h5,7,9H,1-4,6,8H2
InChIKeyRYZXUBCJCXNKBT-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.04
Rot. Bonds6

About 3-(6-chlorohexyl)pyrimidin-4-one

3-(6-chlorohexyl)pyrimidin-4-one (PubChem CID 63768822) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(6-chlorohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(6-chlorohexyl)pyrimidin-4-one
PubChem CID63768822
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-(6-chlorohexyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCCCCCl
InChIInChI=1S/C10H15ClN2O/c11-6-3-1-2-4-8-13-9-12-7-5-10(13)14/h5,7,9H,1-4,6,8H2
InChIKeyRYZXUBCJCXNKBT-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chlorohexyl)pyrimidin-4-one?
The IUPAC name of 3-(6-chlorohexyl)pyrimidin-4-one (CID 63768822) is 3-(6-chlorohexyl)pyrimidin-4-one.
What is the SMILES notation for 3-(6-chlorohexyl)pyrimidin-4-one?
The canonical SMILES for 3-(6-chlorohexyl)pyrimidin-4-one is O=c1ccncn1CCCCCCCl.
What is the InChIKey of 3-(6-chlorohexyl)pyrimidin-4-one?
The InChIKey is RYZXUBCJCXNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-6-3-1-2-4-8-13-9-12-7-5-10(13)14/h5,7,9H,1-4,6,8H2.
What are the key properties of 3-(6-chlorohexyl)pyrimidin-4-one?
3-(6-chlorohexyl)pyrimidin-4-one has a molecular weight of 214.70 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chlorohexyl)pyrimidin-4-one is sourced from PubChem (CID 63768822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).