1-hexyl-2H-pyrimidine

C10H18N2 — CID 18408618

IUPAC1-hexyl-2H-pyrimidine
SMILESCCCCCCN1C=CC=NC1
InChIInChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-7-11-10-12/h6-7,9H,2-5,8,10H2,1H3
InChIKeyCVKHOABIWDNOLV-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds5

About 1-hexyl-2H-pyrimidine

1-hexyl-2H-pyrimidine (PubChem CID 18408618) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-hexyl-2H-pyrimidine.

Molecular Properties

Compound Name1-hexyl-2H-pyrimidine
PubChem CID18408618
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-hexyl-2H-pyrimidine
SMILESCCCCCCN1C=CC=NC1
InChIInChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-7-11-10-12/h6-7,9H,2-5,8,10H2,1H3
InChIKeyCVKHOABIWDNOLV-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-hexyl-2H-pyrimidine?
The IUPAC name of 1-hexyl-2H-pyrimidine (CID 18408618) is 1-hexyl-2H-pyrimidine.
What is the SMILES notation for 1-hexyl-2H-pyrimidine?
The canonical SMILES for 1-hexyl-2H-pyrimidine is CCCCCCN1C=CC=NC1.
What is the InChIKey of 1-hexyl-2H-pyrimidine?
The InChIKey is CVKHOABIWDNOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-7-11-10-12/h6-7,9H,2-5,8,10H2,1H3.
What are the key properties of 1-hexyl-2H-pyrimidine?
1-hexyl-2H-pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2H-pyrimidine is sourced from PubChem (CID 18408618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).