1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol

C10H14FN3O — CID 102975935

IUPAC1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol
SMILESCCc1ncnc(N2CC(C)(O)C2)c1F
InChIInChI=1S/C10H14FN3O/c1-3-7-8(11)9(13-6-12-7)14-4-10(2,15)5-14/h6,15H,3-5H2,1-2H3
InChIKeyFJVMBPPEUSXZPY-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.75
Rot. Bonds2

About 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol

1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol (PubChem CID 102975935) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol
PubChem CID102975935
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol
SMILESCCc1ncnc(N2CC(C)(O)C2)c1F
InChIInChI=1S/C10H14FN3O/c1-3-7-8(11)9(13-6-12-7)14-4-10(2,15)5-14/h6,15H,3-5H2,1-2H3
InChIKeyFJVMBPPEUSXZPY-UHFFFAOYSA-N
XLogP0.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol (CID 102975935) is 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol is CCc1ncnc(N2CC(C)(O)C2)c1F.
What is the InChIKey of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol?
The InChIKey is FJVMBPPEUSXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-3-7-8(11)9(13-6-12-7)14-4-10(2,15)5-14/h6,15H,3-5H2,1-2H3.
What are the key properties of 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol?
1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 102975935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).