3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline

C23H25FN6O — CID 91250267

IUPAC3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline
SMILESCCc1cc(Nc2ccccc2)ccc1C/N=N/c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C23H25FN6O/c1-2-17-14-20(27-19-6-4-3-5-7-19)9-8-18(17)15-26-29-23-25-16-21(24)22(28-23)30-10-12-31-13-11-30/h3-9,14,16,27H,2,10-13,15H2,1H3/b29-26+
InChIKeySJGBCZGXALTKLP-PBBVDAKRSA-N
MW420.49 g/mol
LogP5.04
Rot. Bonds7

About 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline

3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline (PubChem CID 91250267) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline.

Molecular Properties

Compound Name3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline
PubChem CID91250267
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline
SMILESCCc1cc(Nc2ccccc2)ccc1C/N=N/c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C23H25FN6O/c1-2-17-14-20(27-19-6-4-3-5-7-19)9-8-18(17)15-26-29-23-25-16-21(24)22(28-23)30-10-12-31-13-11-30/h3-9,14,16,27H,2,10-13,15H2,1H3/b29-26+
InChIKeySJGBCZGXALTKLP-PBBVDAKRSA-N
XLogP5.04
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-[4-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-methylanilino]phenyl]phenol
CID 91374655
3-[3-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol
CID 91355417
2-chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol
CID 91515693
3-[3-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-propan-2-ylanilino]-5-(trifluoromethyl)phenyl]phenol
CID 91099128
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine
CID 91441124
1-[3-chloro-5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]phenyl]ethanone
CID 91387785
1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol
CID 91265121
3-[3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-methylphenyl]phenol
CID 91124593
3-[3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol
CID 58877270
N-[3-chloro-4-(1H-pyrazol-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
CID 91312010
3-[4-[4-[[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]diazenyl]methyl]-3-methylanilino]phenyl]phenol
CID 90991816
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 91181473

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline?
The IUPAC name of 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline (CID 91250267) is 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline.
What is the SMILES notation for 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline?
The canonical SMILES for 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline is CCc1cc(Nc2ccccc2)ccc1C/N=N/c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline?
The InChIKey is SJGBCZGXALTKLP-PBBVDAKRSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-2-17-14-20(27-19-6-4-3-5-7-19)9-8-18(17)15-26-29-23-25-16-21(24)22(28-23)30-10-12-31-13-11-30/h3-9,14,16,27H,2,10-13,15H2,1H3/b29-26+.
What are the key properties of 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline?
3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline has a molecular weight of 420.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline is sourced from PubChem (CID 91250267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).