4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol

C8H9F2N3O — CID 176929126

IUPAC4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol
SMILESCc1ncnc(N2CC(F)(F)C2)c1O
InChIInChI=1S/C8H9F2N3O/c1-5-6(14)7(12-4-11-5)13-2-8(9,10)3-13/h4,14H,2-3H2,1H3
InChIKeySQSSBRRABQQXMW-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.95
Rot. Bonds1

About 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol

4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol (PubChem CID 176929126) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol
PubChem CID176929126
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol
SMILESCc1ncnc(N2CC(F)(F)C2)c1O
InChIInChI=1S/C8H9F2N3O/c1-5-6(14)7(12-4-11-5)13-2-8(9,10)3-13/h4,14H,2-3H2,1H3
InChIKeySQSSBRRABQQXMW-UHFFFAOYSA-N
XLogP0.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-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

2,4-Dimethylpyrimidin-5-ol
CID 45080082
4-(Azetidin-1-yl)-2-cyclobutyloxy-6-methylpyrimidin-5-ol
CID 134284579
2,4-Bis(azetidin-1-yl)-6-methylpyrimidin-5-ol
CID 134284656
2-Methyl-4-trifluoromethyl-pyrimidin-5-OL
CID 57374635
4-Methyl-2-(trifluoromethyl)pyrimidin-5-ol
CID 121297027
4-[[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]amino]-6-methylpyrimidin-5-ol
CID 144020377
2-(Azetidin-1-yl)-4-(trifluoromethyl)pyrimidin-5-ol
CID 153954575
4-Fluoro-6-methylpyrimidin-5-ol
CID 169635528
4-[2,2-Difluoroethyl(methyl)amino]-6-ethylpyrimidin-5-ol
CID 172314834
4-(Difluoromethyl)-6-methylpyrimidin-5-ol
CID 176929127
4-[Bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol
CID 176929620
1-(5-Fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol
CID 102975939

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol (CID 176929126) is 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol is Cc1ncnc(N2CC(F)(F)C2)c1O.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol?
The InChIKey is SQSSBRRABQQXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c1-5-6(14)7(12-4-11-5)13-2-8(9,10)3-13/h4,14H,2-3H2,1H3.
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol?
4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol has a molecular weight of 201.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-ol is sourced from PubChem (CID 176929126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).