[5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene

C17H15FN4O2S — CID 90986931

IUPAC[5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene
SMILESCOc1cccc(COc2ncc(F)c(/N=N/Cc3cccs3)n2)c1
InChIInChI=1S/C17H15FN4O2S/c1-23-13-5-2-4-12(8-13)11-24-17-19-10-15(18)16(21-17)22-20-9-14-6-3-7-25-14/h2-8,10H,9,11H2,1H3/b22-20+
InChIKeyHNSSOGHXVVGMPM-LSDHQDQOSA-N
MW358.40 g/mol
LogP4.55
Rot. Bonds7

About [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene

[5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene (PubChem CID 90986931) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene.

Molecular Properties

Compound Name[5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene
PubChem CID90986931
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name[5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene
SMILESCOc1cccc(COc2ncc(F)c(/N=N/Cc3cccs3)n2)c1
InChIInChI=1S/C17H15FN4O2S/c1-23-13-5-2-4-12(8-13)11-24-17-19-10-15(18)16(21-17)22-20-9-14-6-3-7-25-14/h2-8,10H,9,11H2,1H3/b22-20+
InChIKeyHNSSOGHXVVGMPM-LSDHQDQOSA-N
XLogP4.55
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene?
The IUPAC name of [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene (CID 90986931) is [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene.
What is the SMILES notation for [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene?
The canonical SMILES for [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene is COc1cccc(COc2ncc(F)c(/N=N/Cc3cccs3)n2)c1.
What is the InChIKey of [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene?
The InChIKey is HNSSOGHXVVGMPM-LSDHQDQOSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-23-13-5-2-4-12(8-13)11-24-17-19-10-15(18)16(21-17)22-20-9-14-6-3-7-25-14/h2-8,10H,9,11H2,1H3/b22-20+.
What are the key properties of [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene?
[5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene has a molecular weight of 358.40 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(3-methoxyphenyl)methoxy]pyrimidin-4-yl]-(thiophen-2-ylmethyl)diazene is sourced from PubChem (CID 90986931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).