1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol

C19H18FN5O2 — CID 91265121

IUPAC1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C/N=N/c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C19H18FN5O2/c20-16-12-21-19(23-18(16)25-7-9-27-10-8-25)24-22-11-15-14-4-2-1-3-13(14)5-6-17(15)26/h1-6,12,26H,7-11H2/b24-22+
InChIKeyXSXJIHRMKRSUTR-ZNTNEXAZSA-N
MW367.38 g/mol
LogP3.60
Rot. Bonds4

About 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol

1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol (PubChem CID 91265121) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol
PubChem CID91265121
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C/N=N/c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C19H18FN5O2/c20-16-12-21-19(23-18(16)25-7-9-27-10-8-25)24-22-11-15-14-4-2-1-3-13(14)5-6-17(15)26/h1-6,12,26H,7-11H2/b24-22+
InChIKeyXSXJIHRMKRSUTR-ZNTNEXAZSA-N
XLogP3.60
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 164535256
US11149031, Example 244
CID 142351324
2-((4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl)methyl)-3'-methyl-[1,1'-biphenyl]-4-ol
CID 53257077
6-(3-Hydroxyphenyl)-1-pyrimidin-5-ylnaphthalen-2-ol
CID 25069764
Fto-IN-2
CID 156278165
1-(Hydroxymethyl)-7-pyrimidin-5-ylnaphthalen-2-ol
CID 70933128
6-(2-Hydroxyphenyl)-1-pyrimidin-5-ylnaphthalen-2-ol
CID 50941265
6-Phenyl-1-pyrimidin-5-ylnaphthalen-2-ol
CID 50942609
6-(4-Hydroxyphenyl)-1-pyrimidin-5-ylnaphthalen-2-ol
CID 50942704
4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 171767046
4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(4S)-1-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 171767105
4-[2-[[1-[(Dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-(2,3,6,7-tetrahydroazepin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 171767110

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol (CID 91265121) is 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C/N=N/c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol?
The InChIKey is XSXJIHRMKRSUTR-ZNTNEXAZSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-16-12-21-19(23-18(16)25-7-9-27-10-8-25)24-22-11-15-14-4-2-1-3-13(14)5-6-17(15)26/h1-6,12,26H,7-11H2/b24-22+.
What are the key properties of 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol?
1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol has a molecular weight of 367.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 91265121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).