2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine

C9H11F2N3 — CID 122269420

IUPAC2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CC(F)(F)C2)n1
InChIInChI=1S/C9H11F2N3/c1-6-3-7(2)13-8(12-6)14-4-9(10,11)5-14/h3H,4-5H2,1-2H3
InChIKeyHPKSZFRJDXLWOR-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.55
Rot. Bonds1

About 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine

2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine (PubChem CID 122269420) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine
PubChem CID122269420
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CC(F)(F)C2)n1
InChIInChI=1S/C9H11F2N3/c1-6-3-7(2)13-8(12-6)14-4-9(10,11)5-14/h3H,4-5H2,1-2H3
InChIKeyHPKSZFRJDXLWOR-UHFFFAOYSA-N
XLogP1.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole
CID 122269478
2-(4,4-difluoropiperidin-1-yl)-4-isocyano-6-methylpyrimidine
CID 177282932
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-iodobenzoyl]-2-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidine-4-carbohydrazide
CID 176849364
1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine
CID 114267758
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
CID 114780970
4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane
CID 143641692
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 113283149
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 106838422
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine (CID 122269420) is 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CC(F)(F)C2)n1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine?
The InChIKey is HPKSZFRJDXLWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c1-6-3-7(2)13-8(12-6)14-4-9(10,11)5-14/h3H,4-5H2,1-2H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine?
2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine has a molecular weight of 199.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 122269420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).