1-tetradecan-6-yl-2H-pyrimidine

C18H34N2 — CID 129301923

IUPAC1-tetradecan-6-yl-2H-pyrimidine
SMILESCCCCCCCCC(CCCCC)N1C=CC=NC1
InChIInChI=1S/C18H34N2/c1-3-5-7-8-9-11-14-18(13-10-6-4-2)20-16-12-15-19-17-20/h12,15-16,18H,3-11,13-14,17H2,1-2H3
InChIKeyVAQUSKCGXPAOMO-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.54
Rot. Bonds12

About 1-tetradecan-6-yl-2H-pyrimidine

1-tetradecan-6-yl-2H-pyrimidine (PubChem CID 129301923) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-tetradecan-6-yl-2H-pyrimidine.

Molecular Properties

Compound Name1-tetradecan-6-yl-2H-pyrimidine
PubChem CID129301923
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-tetradecan-6-yl-2H-pyrimidine
SMILESCCCCCCCCC(CCCCC)N1C=CC=NC1
InChIInChI=1S/C18H34N2/c1-3-5-7-8-9-11-14-18(13-10-6-4-2)20-16-12-15-19-17-20/h12,15-16,18H,3-11,13-14,17H2,1-2H3
InChIKeyVAQUSKCGXPAOMO-UHFFFAOYSA-N
XLogP5.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.54
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-tetradecan-6-yl-2H-pyrimidine?
The IUPAC name of 1-tetradecan-6-yl-2H-pyrimidine (CID 129301923) is 1-tetradecan-6-yl-2H-pyrimidine.
What is the SMILES notation for 1-tetradecan-6-yl-2H-pyrimidine?
The canonical SMILES for 1-tetradecan-6-yl-2H-pyrimidine is CCCCCCCCC(CCCCC)N1C=CC=NC1.
What is the InChIKey of 1-tetradecan-6-yl-2H-pyrimidine?
The InChIKey is VAQUSKCGXPAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-5-7-8-9-11-14-18(13-10-6-4-2)20-16-12-15-19-17-20/h12,15-16,18H,3-11,13-14,17H2,1-2H3.
What are the key properties of 1-tetradecan-6-yl-2H-pyrimidine?
1-tetradecan-6-yl-2H-pyrimidine has a molecular weight of 278.48 g/mol, XLogP of 5.54, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecan-6-yl-2H-pyrimidine is sourced from PubChem (CID 129301923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).