4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline

C24H29N7 — CID 126491935

IUPAC4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline
SMILESCCCCc1ccc(/N=N/c2ncc(/N=N/c3ccc(N(CC)CC)cc3)cn2)cc1
InChIInChI=1S/C24H29N7/c1-4-7-8-19-9-11-20(12-10-19)28-30-24-25-17-22(18-26-24)29-27-21-13-15-23(16-14-21)31(5-2)6-3/h9-18H,4-8H2,1-3H3/b29-27+,30-28+
InChIKeyMWVCOZXRBJNEHC-QAVVBOBSSA-N
MW415.55 g/mol
LogP7.50
Rot. Bonds10

About 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline

4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline (PubChem CID 126491935) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline
PubChem CID126491935
Molecular FormulaC24H29N7
Molecular Weight415.55 g/mol
Exact Mass415.25
IUPAC Name4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline
SMILESCCCCc1ccc(/N=N/c2ncc(/N=N/c3ccc(N(CC)CC)cc3)cn2)cc1
InChIInChI=1S/C24H29N7/c1-4-7-8-19-9-11-20(12-10-19)28-30-24-25-17-22(18-26-24)29-27-21-13-15-23(16-14-21)31(5-2)6-3/h9-18H,4-8H2,1-3H3/b29-27+,30-28+
InChIKeyMWVCOZXRBJNEHC-QAVVBOBSSA-N
XLogP7.50
TPSA78.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol
CID 146356996
4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline
CID 161300188
4-[[5-[[5-[(4-butylphenyl)diazenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]iminomethyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline
CID 123508267
bis(4-decylphenyl)diazene
CID 71359462
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
CID 140607759
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246
N,4-dibutyl-N-octylaniline
CID 175203597
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970990

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline?
The IUPAC name of 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline (CID 126491935) is 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline is CCCCc1ccc(/N=N/c2ncc(/N=N/c3ccc(N(CC)CC)cc3)cn2)cc1.
What is the InChIKey of 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline?
The InChIKey is MWVCOZXRBJNEHC-QAVVBOBSSA-N. The full InChI is InChI=1S/C24H29N7/c1-4-7-8-19-9-11-20(12-10-19)28-30-24-25-17-22(18-26-24)29-27-21-13-15-23(16-14-21)31(5-2)6-3/h9-18H,4-8H2,1-3H3/b29-27+,30-28+.
What are the key properties of 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline?
4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline has a molecular weight of 415.55 g/mol, XLogP of 7.50, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline is sourced from PubChem (CID 126491935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).