4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol

C11H13FN2O — CID 122242965

IUPAC4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol
SMILESCCc1ncnc(C#CC(C)(C)O)c1F
InChIInChI=1S/C11H13FN2O/c1-4-8-10(12)9(14-7-13-8)5-6-11(2,3)15/h7,15H,4H2,1-3H3
InChIKeyJMYOJFFFGBIOKP-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.30
Rot. Bonds1

About 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol

4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol (PubChem CID 122242965) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol
PubChem CID122242965
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol
SMILESCCc1ncnc(C#CC(C)(C)O)c1F
InChIInChI=1S/C11H13FN2O/c1-4-8-10(12)9(14-7-13-8)5-6-11(2,3)15/h7,15H,4H2,1-3H3
InChIKeyJMYOJFFFGBIOKP-UHFFFAOYSA-N
XLogP1.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol (CID 122242965) is 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol is CCc1ncnc(C#CC(C)(C)O)c1F.
What is the InChIKey of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol?
The InChIKey is JMYOJFFFGBIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-4-8-10(12)9(14-7-13-8)5-6-11(2,3)15/h7,15H,4H2,1-3H3.
What are the key properties of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol?
4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol has a molecular weight of 208.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 122242965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).