N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide

C12H15FN4O2 — CID 59160654

IUPACN'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide
SMILESC=CCOc1ncc(F)c(NNC(=O)C=C(C)C)n1
InChIInChI=1S/C12H15FN4O2/c1-4-5-19-12-14-7-9(13)11(15-12)17-16-10(18)6-8(2)3/h4,6-7H,1,5H2,2-3H3,(H,16,18)(H,14,15,17)
InChIKeyUCGMOBNTTNBJFT-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.59
Rot. Bonds6

About N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide

N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide (PubChem CID 59160654) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide
PubChem CID59160654
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC NameN'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide
SMILESC=CCOc1ncc(F)c(NNC(=O)C=C(C)C)n1
InChIInChI=1S/C12H15FN4O2/c1-4-5-19-12-14-7-9(13)11(15-12)17-16-10(18)6-8(2)3/h4,6-7H,1,5H2,2-3H3,(H,16,18)(H,14,15,17)
InChIKeyUCGMOBNTTNBJFT-UHFFFAOYSA-N
XLogP1.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide?
The IUPAC name of N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide (CID 59160654) is N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide.
What is the SMILES notation for N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide?
The canonical SMILES for N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide is C=CCOc1ncc(F)c(NNC(=O)C=C(C)C)n1.
What is the InChIKey of N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide?
The InChIKey is UCGMOBNTTNBJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c1-4-5-19-12-14-7-9(13)11(15-12)17-16-10(18)6-8(2)3/h4,6-7H,1,5H2,2-3H3,(H,16,18)(H,14,15,17).
What are the key properties of N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide?
N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide has a molecular weight of 266.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-3-methylbut-2-enehydrazide is sourced from PubChem (CID 59160654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).