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

C9H12FN3O — CID 102975939

IUPAC1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol
SMILESCc1ncnc(N2CC(C)(O)C2)c1F
InChIInChI=1S/C9H12FN3O/c1-6-7(10)8(12-5-11-6)13-3-9(2,14)4-13/h5,14H,3-4H2,1-2H3
InChIKeyFCINANLQTBILHG-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.50
Rot. Bonds1

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

1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol (PubChem CID 102975939) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol
PubChem CID102975939
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol
SMILESCc1ncnc(N2CC(C)(O)C2)c1F
InChIInChI=1S/C9H12FN3O/c1-6-7(10)8(12-5-11-6)13-3-9(2,14)4-13/h5,14H,3-4H2,1-2H3
InChIKeyFCINANLQTBILHG-UHFFFAOYSA-N
XLogP0.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine
CID 126806706
2-(5-Fluoro-4-methylpyrimidin-2-yl)propan-2-ol
CID 89605515
5-fluoro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549378
4-(5-Fluoro-6-methylpyrimidin-4-yl)morpholine
CID 126972140
4-(3,3-Difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol
CID 176929126
4-[Bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol
CID 176929620
3-Methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-ol
CID 65952668
2-[Cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]ethanol
CID 102675218
3-Cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol
CID 102677296
3-[Cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol
CID 102846781
1-(6-Ethyl-5-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol
CID 102975935
3-Cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol
CID 102975982

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol (CID 102975939) is 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol is Cc1ncnc(N2CC(C)(O)C2)c1F.
What is the InChIKey of 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol?
The InChIKey is FCINANLQTBILHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-6-7(10)8(12-5-11-6)13-3-9(2,14)4-13/h5,14H,3-4H2,1-2H3.
What are the key properties of 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol?
1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol has a molecular weight of 197.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 102975939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).