2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine

C24H41N5 — CID 157427789

IUPAC2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine
SMILESCCCCCc1nc(C)nc(CCCC)n1.CCCc1nc(C)c(C)c(CC)n1
InChIInChI=1S/C13H23N3.C11H18N2/c1-4-6-8-10-13-15-11(3)14-12(16-13)9-7-5-2;1-5-7-11-12-9(4)8(3)10(6-2)13-11/h4-10H2,1-3H3;5-7H2,1-4H3
InChIKeyBQDYVLZWAYFHHU-UHFFFAOYSA-N
MW399.63 g/mol
LogP5.86
Rot. Bonds10

About 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine

2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine (PubChem CID 157427789) has the molecular formula C24H41N5 and a molecular weight of 399.63 g/mol. Its IUPAC name is 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine.

Molecular Properties

Compound Name2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine
PubChem CID157427789
Molecular FormulaC24H41N5
Molecular Weight399.63 g/mol
Exact Mass399.34
IUPAC Name2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine
SMILESCCCCCc1nc(C)nc(CCCC)n1.CCCc1nc(C)c(C)c(CC)n1
InChIInChI=1S/C13H23N3.C11H18N2/c1-4-6-8-10-13-15-11(3)14-12(16-13)9-7-5-2;1-5-7-11-12-9(4)8(3)10(6-2)13-11/h4-10H2,1-3H3;5-7H2,1-4H3
InChIKeyBQDYVLZWAYFHHU-UHFFFAOYSA-N
XLogP5.86
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.63
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
4,5,6-tripentyl-2-propylpyrimidine
CID 90692592
2-propyl-4,5,6-tri(tetracosyl)pyrimidine
CID 91806969
4,5,6-tri(docosyl)-2-propylpyrimidine
CID 90898493
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
CID 69095431
2-methyl-4,5,6-tripentylpyrimidine
CID 66935521
2-ethyl-4,5,6-tri(heptadecyl)pyrimidine
CID 91384633

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine?
The IUPAC name of 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine (CID 157427789) is 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine.
What is the SMILES notation for 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine?
The canonical SMILES for 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine is CCCCCc1nc(C)nc(CCCC)n1.CCCc1nc(C)c(C)c(CC)n1.
What is the InChIKey of 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine?
The InChIKey is BQDYVLZWAYFHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.C11H18N2/c1-4-6-8-10-13-15-11(3)14-12(16-13)9-7-5-2;1-5-7-11-12-9(4)8(3)10(6-2)13-11/h4-10H2,1-3H3;5-7H2,1-4H3.
What are the key properties of 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine?
2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine has a molecular weight of 399.63 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-6-pentyl-1,3,5-triazine;4-ethyl-5,6-dimethyl-2-propylpyrimidine is sourced from PubChem (CID 157427789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).