2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide

C25H49IN2 — CID 173273409

IUPAC2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCN1C(C)=NC(C)=CC1C.I
InChIInChI=1S/C25H48N2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-24(3)22-23(2)26-25(27)4;/h22,24H,5-21H2,1-4H3;1H
InChIKeyOAMZFHDQNNIPMB-UHFFFAOYSA-N
MW504.59 g/mol
LogP8.89
Rot. Bonds17

About 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide

2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide (PubChem CID 173273409) has the molecular formula C25H49IN2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide.

Molecular Properties

Compound Name2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide
PubChem CID173273409
Molecular FormulaC25H49IN2
Molecular Weight504.59 g/mol
Exact Mass504.29
IUPAC Name2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCN1C(C)=NC(C)=CC1C.I
InChIInChI=1S/C25H48N2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-24(3)22-23(2)26-25(27)4;/h22,24H,5-21H2,1-4H3;1H
InChIKeyOAMZFHDQNNIPMB-UHFFFAOYSA-N
XLogP8.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide?
The IUPAC name of 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide (CID 173273409) is 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide.
What is the SMILES notation for 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide?
The canonical SMILES for 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide is CCCCCCCCCCCCCCCCCCN1C(C)=NC(C)=CC1C.I.
What is the InChIKey of 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide?
The InChIKey is OAMZFHDQNNIPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-24(3)22-23(2)26-25(27)4;/h22,24H,5-21H2,1-4H3;1H.
What are the key properties of 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide?
2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide has a molecular weight of 504.59 g/mol, XLogP of 8.89, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-octadecyl-4H-pyrimidine;hydroiodide is sourced from PubChem (CID 173273409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).