4,6-di(pentadecyl)pyrimidine

C34H64N2 — CID 91242686

IUPAC4,6-di(pentadecyl)pyrimidine
SMILESCCCCCCCCCCCCCCCc1cc(CCCCCCCCCCCCCCC)ncn1
InChIInChI=1S/C34H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-31-34(36-32-35-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
InChIKeyWWVYNJXUOMDXDE-UHFFFAOYSA-N
MW500.90 g/mol
LogP11.74
Rot. Bonds28

About 4,6-di(pentadecyl)pyrimidine

4,6-di(pentadecyl)pyrimidine (PubChem CID 91242686) has the molecular formula C34H64N2 and a molecular weight of 500.90 g/mol. Its IUPAC name is 4,6-di(pentadecyl)pyrimidine.

Molecular Properties

Compound Name4,6-di(pentadecyl)pyrimidine
PubChem CID91242686
Molecular FormulaC34H64N2
Molecular Weight500.90 g/mol
Exact Mass500.51
IUPAC Name4,6-di(pentadecyl)pyrimidine
SMILESCCCCCCCCCCCCCCCc1cc(CCCCCCCCCCCCCCC)ncn1
InChIInChI=1S/C34H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-31-34(36-32-35-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
InChIKeyWWVYNJXUOMDXDE-UHFFFAOYSA-N
XLogP11.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.90
LogP ≤ 511.74
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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Related Compounds

4,6-dihexadecylpyrimidine
CID 91309058
4,6-di(tridecyl)pyrimidine
CID 91541522
4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
2-butyl-4,6-dihexylpyrimidine
CID 91010912
2-butyl-4,6-didodecylpyrimidine
CID 91545608
2,6-diheptyl-4-propylpyridine
CID 91426264
4,6-di(octacosyl)-2-propylpyrimidine
CID 91419921
2-decyl-4-ethylpyridine;tetradecane
CID 174509045
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
4-chloro-2-heptylpyridine
CID 166820805

Frequently Asked Questions

What is the IUPAC name of 4,6-di(pentadecyl)pyrimidine?
The IUPAC name of 4,6-di(pentadecyl)pyrimidine (CID 91242686) is 4,6-di(pentadecyl)pyrimidine.
What is the SMILES notation for 4,6-di(pentadecyl)pyrimidine?
The canonical SMILES for 4,6-di(pentadecyl)pyrimidine is CCCCCCCCCCCCCCCc1cc(CCCCCCCCCCCCCCC)ncn1.
What is the InChIKey of 4,6-di(pentadecyl)pyrimidine?
The InChIKey is WWVYNJXUOMDXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-31-34(36-32-35-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3.
What are the key properties of 4,6-di(pentadecyl)pyrimidine?
4,6-di(pentadecyl)pyrimidine has a molecular weight of 500.90 g/mol, XLogP of 11.74, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(pentadecyl)pyrimidine is sourced from PubChem (CID 91242686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).