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

C12H16FN3O — CID 102677296

IUPAC3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol
SMILESCCc1ncnc(N2CC(O)(C3CC3)C2)c1F
InChIInChI=1S/C12H16FN3O/c1-2-9-10(13)11(15-7-14-9)16-5-12(17,6-16)8-3-4-8/h7-8,17H,2-6H2,1H3
InChIKeyATFDZNWPEDJDEB-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.14
Rot. Bonds3

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

3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol (PubChem CID 102677296) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol
PubChem CID102677296
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol
SMILESCCc1ncnc(N2CC(O)(C3CC3)C2)c1F
InChIInChI=1S/C12H16FN3O/c1-2-9-10(13)11(15-7-14-9)16-5-12(17,6-16)8-3-4-8/h7-8,17H,2-6H2,1H3
InChIKeyATFDZNWPEDJDEB-UHFFFAOYSA-N
XLogP1.14
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
CID 126820980
2-(5-Fluoro-4-propan-2-ylpyrimidin-2-yl)propan-2-ol
CID 89604316
[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]methanol
CID 75504421
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 100672941
[1-(6-Ethyl-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102809636
1-(6-Ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol
CID 102975935
1-(5-Fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol
CID 102975939
3-Cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol
CID 102975982
1-(5-Fluoro-6-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-ol
CID 102975990
1-[[(5-Fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 103837873
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103867396
1-(6-Ethyl-5-fluoropyrimidin-4-yl)piperidin-3-ol
CID 103867408

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol (CID 102677296) is 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol is CCc1ncnc(N2CC(O)(C3CC3)C2)c1F.
What is the InChIKey of 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol?
The InChIKey is ATFDZNWPEDJDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-2-9-10(13)11(15-7-14-9)16-5-12(17,6-16)8-3-4-8/h7-8,17H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol?
3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol has a molecular weight of 237.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol is sourced from PubChem (CID 102677296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).