2-(6-chlorohexyl)pyrimidine

C10H15ClN2 — CID 19872177

IUPAC2-(6-chlorohexyl)pyrimidine
SMILESClCCCCCCc1ncccn1
InChIInChI=1S/C10H15ClN2/c11-7-4-2-1-3-6-10-12-8-5-9-13-10/h5,8-9H,1-4,6-7H2
InChIKeyWRSRIIYZYVGNHK-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.82
Rot. Bonds6

About 2-(6-chlorohexyl)pyrimidine

2-(6-chlorohexyl)pyrimidine (PubChem CID 19872177) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-(6-chlorohexyl)pyrimidine.

Molecular Properties

Compound Name2-(6-chlorohexyl)pyrimidine
PubChem CID19872177
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-(6-chlorohexyl)pyrimidine
SMILESClCCCCCCc1ncccn1
InChIInChI=1S/C10H15ClN2/c11-7-4-2-1-3-6-10-12-8-5-9-13-10/h5,8-9H,1-4,6-7H2
InChIKeyWRSRIIYZYVGNHK-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(6-chlorohexyl)pyrimidine?
The IUPAC name of 2-(6-chlorohexyl)pyrimidine (CID 19872177) is 2-(6-chlorohexyl)pyrimidine.
What is the SMILES notation for 2-(6-chlorohexyl)pyrimidine?
The canonical SMILES for 2-(6-chlorohexyl)pyrimidine is ClCCCCCCc1ncccn1.
What is the InChIKey of 2-(6-chlorohexyl)pyrimidine?
The InChIKey is WRSRIIYZYVGNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-7-4-2-1-3-6-10-12-8-5-9-13-10/h5,8-9H,1-4,6-7H2.
What are the key properties of 2-(6-chlorohexyl)pyrimidine?
2-(6-chlorohexyl)pyrimidine has a molecular weight of 198.70 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorohexyl)pyrimidine is sourced from PubChem (CID 19872177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).