3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol

C11H14FN3O — CID 102975982

IUPAC3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol
SMILESCc1ncnc(N2CC(O)(C3CC3)C2)c1F
InChIInChI=1S/C11H14FN3O/c1-7-9(12)10(14-6-13-7)15-4-11(16,5-15)8-2-3-8/h6,8,16H,2-5H2,1H3
InChIKeyQDNUFIUISOBIHI-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.89
Rot. Bonds2

About 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol

3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol (PubChem CID 102975982) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol
PubChem CID102975982
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol
SMILESCc1ncnc(N2CC(O)(C3CC3)C2)c1F
InChIInChI=1S/C11H14FN3O/c1-7-9(12)10(14-6-13-7)15-4-11(16,5-15)8-2-3-8/h6,8,16H,2-5H2,1H3
InChIKeyQDNUFIUISOBIHI-UHFFFAOYSA-N
XLogP0.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol (CID 102975982) is 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol is Cc1ncnc(N2CC(O)(C3CC3)C2)c1F.
What is the InChIKey of 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol?
The InChIKey is QDNUFIUISOBIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-7-9(12)10(14-6-13-7)15-4-11(16,5-15)8-2-3-8/h6,8,16H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol?
3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol has a molecular weight of 223.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol is sourced from PubChem (CID 102975982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).