4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline

C29H33N3 — CID 143881833

IUPAC4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline
SMILESCCCCc1ccc(-c2cc(C)nc(-c3ccc(C)cc3)n2)cc1.CNc1ccccc1
InChIInChI=1S/C22H24N2.C7H9N/c1-4-5-6-18-9-13-19(14-10-18)21-15-17(3)23-22(24-21)20-11-7-16(2)8-12-20;1-8-7-5-3-2-4-6-7/h7-15H,4-6H2,1-3H3;2-6,8H,1H3
InChIKeyWMNXGZQPVKHHNN-UHFFFAOYSA-N
MW423.60 g/mol
LogP7.50
Rot. Bonds6

About 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline

4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline (PubChem CID 143881833) has the molecular formula C29H33N3 and a molecular weight of 423.60 g/mol. Its IUPAC name is 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline.

Molecular Properties

Compound Name4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline
PubChem CID143881833
Molecular FormulaC29H33N3
Molecular Weight423.60 g/mol
Exact Mass423.27
IUPAC Name4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline
SMILESCCCCc1ccc(-c2cc(C)nc(-c3ccc(C)cc3)n2)cc1.CNc1ccccc1
InChIInChI=1S/C22H24N2.C7H9N/c1-4-5-6-18-9-13-19(14-10-18)21-15-17(3)23-22(24-21)20-11-7-16(2)8-12-20;1-8-7-5-3-2-4-6-7/h7-15H,4-6H2,1-3H3;2-6,8H,1H3
InChIKeyWMNXGZQPVKHHNN-UHFFFAOYSA-N
XLogP7.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
CID 145044910
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58371157
1-butyl-4-methylbenzene;phenol
CID 174834955
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-butyl-4-phenylbenzene;ethane
CID 143743409
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline?
The IUPAC name of 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline (CID 143881833) is 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline.
What is the SMILES notation for 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline?
The canonical SMILES for 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline is CCCCc1ccc(-c2cc(C)nc(-c3ccc(C)cc3)n2)cc1.CNc1ccccc1.
What is the InChIKey of 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline?
The InChIKey is WMNXGZQPVKHHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2.C7H9N/c1-4-5-6-18-9-13-19(14-10-18)21-15-17(3)23-22(24-21)20-11-7-16(2)8-12-20;1-8-7-5-3-2-4-6-7/h7-15H,4-6H2,1-3H3;2-6,8H,1H3.
What are the key properties of 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline?
4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline has a molecular weight of 423.60 g/mol, XLogP of 7.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-6-methyl-2-(4-methylphenyl)pyrimidine;N-methylaniline is sourced from PubChem (CID 143881833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).