5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine

C24H28N2 — CID 12063039

IUPAC5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine
SMILESCCCCCc1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)c1C
InChIInChI=1S/C24H28N2/c1-5-6-7-8-22-19(4)23(20-13-9-17(2)10-14-20)26-24(25-22)21-15-11-18(3)12-16-21/h9-16H,5-8H2,1-4H3
InChIKeyNOYXNWMSGIRELL-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.47
Rot. Bonds6

About 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine

5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine (PubChem CID 12063039) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine.

Molecular Properties

Compound Name5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine
PubChem CID12063039
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine
SMILESCCCCCc1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)c1C
InChIInChI=1S/C24H28N2/c1-5-6-7-8-22-19(4)23(20-13-9-17(2)10-14-20)26-24(25-22)21-15-11-18(3)12-16-21/h9-16H,5-8H2,1-4H3
InChIKeyNOYXNWMSGIRELL-UHFFFAOYSA-N
XLogP6.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.47
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-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine
CID 12063031
4-butyl-5,6-dimethyl-2-phenylpyrimidine
CID 138967628
4-[5-(4-hydroxyphenyl)-3,6-di(icosyl)pyrazin-2-yl]phenol
CID 139631881
4-chloro-6-hexyl-5-pentyl-2-phenylpyrimidine
CID 10712514
4-pentyl-2-phenylquinazoline
CID 122226497
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
CID 145044910
5-hexyl-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 22090391
2,4-bis(2,4-dimethylphenyl)-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 118244537
6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine
CID 91351410
3-hexyl-1-(4-methylphenyl)isoquinoline
CID 139263476
2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58371157
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine?
The IUPAC name of 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine (CID 12063039) is 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine.
What is the SMILES notation for 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine?
The canonical SMILES for 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine is CCCCCc1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)c1C.
What is the InChIKey of 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine?
The InChIKey is NOYXNWMSGIRELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-5-6-7-8-22-19(4)23(20-13-9-17(2)10-14-20)26-24(25-22)21-15-11-18(3)12-16-21/h9-16H,5-8H2,1-4H3.
What are the key properties of 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine?
5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine has a molecular weight of 344.50 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine is sourced from PubChem (CID 12063039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).