(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene

C12H15FN4O — CID 90775635

IUPAC(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene
SMILESC=CCOc1ncc(F)c(/N=N/C=C(C)CC)n1
InChIInChI=1S/C12H15FN4O/c1-4-6-18-12-14-8-10(13)11(16-12)17-15-7-9(3)5-2/h4,7-8H,1,5-6H2,2-3H3/b9-7?,17-15+
InChIKeyNYUGEZMSHVOKTJ-HDVUHMHRSA-N
MW250.28 g/mol
LogP3.58
Rot. Bonds6

About (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene

(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene (PubChem CID 90775635) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene.

Molecular Properties

Compound Name(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene
PubChem CID90775635
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene
SMILESC=CCOc1ncc(F)c(/N=N/C=C(C)CC)n1
InChIInChI=1S/C12H15FN4O/c1-4-6-18-12-14-8-10(13)11(16-12)17-15-7-9(3)5-2/h4,7-8H,1,5-6H2,2-3H3/b9-7?,17-15+
InChIKeyNYUGEZMSHVOKTJ-HDVUHMHRSA-N
XLogP3.58
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene?
The IUPAC name of (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene (CID 90775635) is (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene.
What is the SMILES notation for (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene?
The canonical SMILES for (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene is C=CCOc1ncc(F)c(/N=N/C=C(C)CC)n1.
What is the InChIKey of (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene?
The InChIKey is NYUGEZMSHVOKTJ-HDVUHMHRSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-4-6-18-12-14-8-10(13)11(16-12)17-15-7-9(3)5-2/h4,7-8H,1,5-6H2,2-3H3/b9-7?,17-15+.
What are the key properties of (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene?
(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene has a molecular weight of 250.28 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene is sourced from PubChem (CID 90775635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).