2,4-dimethyl-6-pentyl-1,3,5-triazine

C10H17N3 — CID 15211759

IUPAC2,4-dimethyl-6-pentyl-1,3,5-triazine
SMILESCCCCCc1nc(C)nc(C)n1
InChIInChI=1S/C10H17N3/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h4-7H2,1-3H3
InChIKeyXCPVNXXXQNQWGY-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.22
Rot. Bonds4

About 2,4-dimethyl-6-pentyl-1,3,5-triazine

2,4-dimethyl-6-pentyl-1,3,5-triazine (PubChem CID 15211759) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2,4-dimethyl-6-pentyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-pentyl-1,3,5-triazine
PubChem CID15211759
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2,4-dimethyl-6-pentyl-1,3,5-triazine
SMILESCCCCCc1nc(C)nc(C)n1
InChIInChI=1S/C10H17N3/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h4-7H2,1-3H3
InChIKeyXCPVNXXXQNQWGY-UHFFFAOYSA-N
XLogP2.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine
CID 157427789
2-methyl-4,5,6-tripentylpyrimidine
CID 66935521
2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
CID 69095431
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
4,5,6-tripentyl-2-propylpyrimidine
CID 90692592
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4,6-didodecyl-2-methylpyrimidine
CID 66935955

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-pentyl-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-pentyl-1,3,5-triazine (CID 15211759) is 2,4-dimethyl-6-pentyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-pentyl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-pentyl-1,3,5-triazine is CCCCCc1nc(C)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-pentyl-1,3,5-triazine?
The InChIKey is XCPVNXXXQNQWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h4-7H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-pentyl-1,3,5-triazine?
2,4-dimethyl-6-pentyl-1,3,5-triazine has a molecular weight of 179.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-pentyl-1,3,5-triazine is sourced from PubChem (CID 15211759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).