(2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene

C21H22FN5O3 — CID 170920906

IUPAC(2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene
SMILESCOc1ccc2ccc(OC)c(C/N=N/c3ncc(F)c(N4CCOCC4)n3)c2c1
InChIInChI=1S/C21H22FN5O3/c1-28-15-5-3-14-4-6-19(29-2)17(16(14)11-15)12-24-26-21-23-13-18(22)20(25-21)27-7-9-30-10-8-27/h3-6,11,13H,7-10,12H2,1-2H3/b26-24+
InChIKeyVWWNMUVFYJGSGO-SHHOIMCASA-N
MW411.44 g/mol
LogP3.91
Rot. Bonds6

About (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene

(2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene (PubChem CID 170920906) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene.

Molecular Properties

Compound Name(2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene
PubChem CID170920906
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name(2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene
SMILESCOc1ccc2ccc(OC)c(C/N=N/c3ncc(F)c(N4CCOCC4)n3)c2c1
InChIInChI=1S/C21H22FN5O3/c1-28-15-5-3-14-4-6-19(29-2)17(16(14)11-15)12-24-26-21-23-13-18(22)20(25-21)27-7-9-30-10-8-27/h3-6,11,13H,7-10,12H2,1-2H3/b26-24+
InChIKeyVWWNMUVFYJGSGO-SHHOIMCASA-N
XLogP3.91
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
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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Launch Full Analysis

Related Compounds

1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol
CID 91265121
3-ethyl-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-phenylaniline
CID 91250267
2-chloro-5-[5-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]furan-2-yl]benzoic acid
CID 91162168
N-[(2,7-diethoxynaphthalen-1-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 5005049
2-[[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)diazenyl]methyl]-4-methoxyphenol
CID 123969997
3-[4-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-methylanilino]phenyl]phenol
CID 91374655
1-[3-chloro-5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]phenyl]ethanone
CID 91387785
4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine
CID 1353718
3-[3-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-methylphenyl]phenol
CID 91124593
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine
CID 91441124
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-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol
CID 123294971

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene?
The IUPAC name of (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene (CID 170920906) is (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene.
What is the SMILES notation for (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene?
The canonical SMILES for (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene is COc1ccc2ccc(OC)c(C/N=N/c3ncc(F)c(N4CCOCC4)n3)c2c1.
What is the InChIKey of (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene?
The InChIKey is VWWNMUVFYJGSGO-SHHOIMCASA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-28-15-5-3-14-4-6-19(29-2)17(16(14)11-15)12-24-26-21-23-13-18(22)20(25-21)27-7-9-30-10-8-27/h3-6,11,13H,7-10,12H2,1-2H3/b26-24+.
What are the key properties of (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene?
(2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene has a molecular weight of 411.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethoxynaphthalen-1-yl)methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene is sourced from PubChem (CID 170920906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).