2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol

C22H25N7O — CID 146356996

IUPAC2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol
SMILESCCCCc1ccc(/N=N/c2ncc(/N=N/c3ccc(NCCO)cc3)cn2)cc1
InChIInChI=1S/C22H25N7O/c1-2-3-4-17-5-7-19(8-6-17)27-29-22-24-15-21(16-25-22)28-26-20-11-9-18(10-12-20)23-13-14-30/h5-12,15-16,23,30H,2-4,13-14H2,1H3/b28-26+,29-27+
InChIKeyMUZJZSYNADQLMM-TUUFZWAFSA-N
MW403.49 g/mol
LogP6.05
Rot. Bonds10

About 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol

2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol (PubChem CID 146356996) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol
PubChem CID146356996
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol
SMILESCCCCc1ccc(/N=N/c2ncc(/N=N/c3ccc(NCCO)cc3)cn2)cc1
InChIInChI=1S/C22H25N7O/c1-2-3-4-17-5-7-19(8-6-17)27-29-22-24-15-21(16-25-22)28-26-20-11-9-18(10-12-20)23-13-14-30/h5-12,15-16,23,30H,2-4,13-14H2,1H3/b28-26+,29-27+
InChIKeyMUZJZSYNADQLMM-TUUFZWAFSA-N
XLogP6.05
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]-N,N-diethylaniline
CID 126491935
5-(4-butylanilino)pentan-1-ol
CID 62228069
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862
bis(4-decylphenyl)diazene
CID 71359462
6-(4-propylanilino)hexan-1-ol
CID 103868001
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970990
2-[2-[[4-(butylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol
CID 91351571

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol?
The IUPAC name of 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol (CID 146356996) is 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol?
The canonical SMILES for 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol is CCCCc1ccc(/N=N/c2ncc(/N=N/c3ccc(NCCO)cc3)cn2)cc1.
What is the InChIKey of 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol?
The InChIKey is MUZJZSYNADQLMM-TUUFZWAFSA-N. The full InChI is InChI=1S/C22H25N7O/c1-2-3-4-17-5-7-19(8-6-17)27-29-22-24-15-21(16-25-22)28-26-20-11-9-18(10-12-20)23-13-14-30/h5-12,15-16,23,30H,2-4,13-14H2,1H3/b28-26+,29-27+.
What are the key properties of 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol?
2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol has a molecular weight of 403.49 g/mol, XLogP of 6.05, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(4-butylphenyl)diazenyl]pyrimidin-5-yl]diazenyl]anilino]ethanol is sourced from PubChem (CID 146356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).