2-butyl-4,6-dihexylpyrimidine

C20H36N2 — CID 91010912

IUPAC2-butyl-4,6-dihexylpyrimidine
SMILESCCCCCCc1cc(CCCCCC)nc(CCCC)n1
InChIInChI=1S/C20H36N2/c1-4-7-10-12-14-18-17-19(15-13-11-8-5-2)22-20(21-18)16-9-6-3/h17H,4-16H2,1-3H3
InChIKeyOXORKMUUUDCBAX-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.06
Rot. Bonds13

About 2-butyl-4,6-dihexylpyrimidine

2-butyl-4,6-dihexylpyrimidine (PubChem CID 91010912) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 2-butyl-4,6-dihexylpyrimidine.

Molecular Properties

Compound Name2-butyl-4,6-dihexylpyrimidine
PubChem CID91010912
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name2-butyl-4,6-dihexylpyrimidine
SMILESCCCCCCc1cc(CCCCCC)nc(CCCC)n1
InChIInChI=1S/C20H36N2/c1-4-7-10-12-14-18-17-19(15-13-11-8-5-2)22-20(21-18)16-9-6-3/h17H,4-16H2,1-3H3
InChIKeyOXORKMUUUDCBAX-UHFFFAOYSA-N
XLogP6.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.06
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

2-butyl-4,6-didodecylpyrimidine
CID 91545608
4,6-di(octacosyl)-2-propylpyrimidine
CID 91419921
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
4-methyl-2,6-dioctylpyridine
CID 66935754
2,6-diheptyl-4-propylpyridine
CID 91426264
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
4,6-dihexadecylpyrimidine
CID 91309058
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-dihexylpyrimidine?
The IUPAC name of 2-butyl-4,6-dihexylpyrimidine (CID 91010912) is 2-butyl-4,6-dihexylpyrimidine.
What is the SMILES notation for 2-butyl-4,6-dihexylpyrimidine?
The canonical SMILES for 2-butyl-4,6-dihexylpyrimidine is CCCCCCc1cc(CCCCCC)nc(CCCC)n1.
What is the InChIKey of 2-butyl-4,6-dihexylpyrimidine?
The InChIKey is OXORKMUUUDCBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-4-7-10-12-14-18-17-19(15-13-11-8-5-2)22-20(21-18)16-9-6-3/h17H,4-16H2,1-3H3.
What are the key properties of 2-butyl-4,6-dihexylpyrimidine?
2-butyl-4,6-dihexylpyrimidine has a molecular weight of 304.52 g/mol, XLogP of 6.06, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-dihexylpyrimidine is sourced from PubChem (CID 91010912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).