5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol

C23H26FN7O2 — CID 90789678

IUPAC5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol
SMILESCCCc1ccc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc1O
InChIInChI=1S/C23H26FN7O2/c1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31/h4-7,12-13,15,28,32H,2-3,8-11,14H2,1H3/b30-27+
InChIKeyHWYUULRRXXSLIM-KDJFERLWSA-N
MW451.51 g/mol
LogP4.53
Rot. Bonds8

About 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol

5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol (PubChem CID 90789678) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol.

Molecular Properties

Compound Name5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol
PubChem CID90789678
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol
SMILESCCCc1ccc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc1O
InChIInChI=1S/C23H26FN7O2/c1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31/h4-7,12-13,15,28,32H,2-3,8-11,14H2,1H3/b30-27+
InChIKeyHWYUULRRXXSLIM-KDJFERLWSA-N
XLogP4.53
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol with MolForge

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Launch Full Analysis

Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
4-fluoro-5-imidazol-1-yl-2-[6-[[(1R,3S,5S)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162650904
4-fluoro-5-imidazol-1-yl-2-[6-[[(1S,3R,5R)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162657189
4-(5-Hydroxy-2-methylanilino)-2-(2-pyrazinyl)-6-trifluoromethylpyrimidine
CID 22732487
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
3-[[3-(6-Amino-2-methyl-4-pyrimidinyl)-2-pyridinyl]amino]phenol
CID 49785253
3-(6-(6-Methoxypyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 50908894
3-(2-Morpholino-6-(2-(pyridin-4-yl)ethylamino)pyrimidin-4-yl)phenol
CID 51346892
3-(4-Morpholino-6-(pyridin-2-yl)pyrimidin-2-yl)phenol
CID 51346893
2-(4-(2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)phenyl)propan-2-ol
CID 52946246
3-(2-Morpholino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl)phenol
CID 52946248
3-(2-Morpholino-6-(quinolin-3-ylamino)pyrimidin-4-yl)phenol
CID 53320102

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol?
The IUPAC name of 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol (CID 90789678) is 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol.
What is the SMILES notation for 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol?
The canonical SMILES for 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol is CCCc1ccc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc1O.
What is the InChIKey of 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol?
The InChIKey is HWYUULRRXXSLIM-KDJFERLWSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31/h4-7,12-13,15,28,32H,2-3,8-11,14H2,1H3/b30-27+.
What are the key properties of 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol?
5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol has a molecular weight of 451.51 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-2-propylphenol is sourced from PubChem (CID 90789678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).