1-tetradecyl-2H-pyrimidine

C18H34N2 — CID 139947911

IUPAC1-tetradecyl-2H-pyrimidine
SMILESCCCCCCCCCCCCCCN1C=CC=NC1
InChIInChI=1S/C18H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-19-18-20/h14-15,17H,2-13,16,18H2,1H3
InChIKeyVGLSPCSSWKTLMU-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.55
Rot. Bonds13

About 1-tetradecyl-2H-pyrimidine

1-tetradecyl-2H-pyrimidine (PubChem CID 139947911) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-tetradecyl-2H-pyrimidine.

Molecular Properties

Compound Name1-tetradecyl-2H-pyrimidine
PubChem CID139947911
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-tetradecyl-2H-pyrimidine
SMILESCCCCCCCCCCCCCCN1C=CC=NC1
InChIInChI=1S/C18H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-19-18-20/h14-15,17H,2-13,16,18H2,1H3
InChIKeyVGLSPCSSWKTLMU-UHFFFAOYSA-N
XLogP5.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.55
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-tetradecyl-2H-pyrimidine?
The IUPAC name of 1-tetradecyl-2H-pyrimidine (CID 139947911) is 1-tetradecyl-2H-pyrimidine.
What is the SMILES notation for 1-tetradecyl-2H-pyrimidine?
The canonical SMILES for 1-tetradecyl-2H-pyrimidine is CCCCCCCCCCCCCCN1C=CC=NC1.
What is the InChIKey of 1-tetradecyl-2H-pyrimidine?
The InChIKey is VGLSPCSSWKTLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-19-18-20/h14-15,17H,2-13,16,18H2,1H3.
What are the key properties of 1-tetradecyl-2H-pyrimidine?
1-tetradecyl-2H-pyrimidine has a molecular weight of 278.48 g/mol, XLogP of 5.55, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecyl-2H-pyrimidine is sourced from PubChem (CID 139947911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).