2-methyl-4,5,6-tripentylpyrimidine

C20H36N2 — CID 66935521

IUPAC2-methyl-4,5,6-tripentylpyrimidine
SMILESCCCCCc1nc(C)nc(CCCCC)c1CCCCC
InChIInChI=1S/C20H36N2/c1-5-8-11-14-18-19(15-12-9-6-2)21-17(4)22-20(18)16-13-10-7-3/h5-16H2,1-4H3
InChIKeyPUVJDFPIAMYUAL-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.98
Rot. Bonds12

About 2-methyl-4,5,6-tripentylpyrimidine

2-methyl-4,5,6-tripentylpyrimidine (PubChem CID 66935521) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 2-methyl-4,5,6-tripentylpyrimidine.

Molecular Properties

Compound Name2-methyl-4,5,6-tripentylpyrimidine
PubChem CID66935521
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name2-methyl-4,5,6-tripentylpyrimidine
SMILESCCCCCc1nc(C)nc(CCCCC)c1CCCCC
InChIInChI=1S/C20H36N2/c1-5-8-11-14-18-19(15-12-9-6-2)21-17(4)22-20(18)16-13-10-7-3/h5-16H2,1-4H3
InChIKeyPUVJDFPIAMYUAL-UHFFFAOYSA-N
XLogP5.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.98
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 2-methyl-4,5,6-tripentylpyrimidine?
The IUPAC name of 2-methyl-4,5,6-tripentylpyrimidine (CID 66935521) is 2-methyl-4,5,6-tripentylpyrimidine.
What is the SMILES notation for 2-methyl-4,5,6-tripentylpyrimidine?
The canonical SMILES for 2-methyl-4,5,6-tripentylpyrimidine is CCCCCc1nc(C)nc(CCCCC)c1CCCCC.
What is the InChIKey of 2-methyl-4,5,6-tripentylpyrimidine?
The InChIKey is PUVJDFPIAMYUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-5-8-11-14-18-19(15-12-9-6-2)21-17(4)22-20(18)16-13-10-7-3/h5-16H2,1-4H3.
What are the key properties of 2-methyl-4,5,6-tripentylpyrimidine?
2-methyl-4,5,6-tripentylpyrimidine has a molecular weight of 304.52 g/mol, XLogP of 5.98, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6-tripentylpyrimidine is sourced from PubChem (CID 66935521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).