2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine

C19H24FN5 — CID 126892916

IUPAC2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)n1
InChIInChI=1S/C19H24FN5/c1-14-11-15(2)22-19(21-14)25-12-18(13-25)24-9-7-23(8-10-24)17-5-3-16(20)4-6-17/h3-6,11,18H,7-10,12-13H2,1-2H3
InChIKeyKUTFTRGSSXGQTK-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.24
Rot. Bonds3

About 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 126892916) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
PubChem CID126892916
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)n1
InChIInChI=1S/C19H24FN5/c1-14-11-15(2)22-19(21-14)25-12-18(13-25)24-9-7-23(8-10-24)17-5-3-16(20)4-6-17/h3-6,11,18H,7-10,12-13H2,1-2H3
InChIKeyKUTFTRGSSXGQTK-UHFFFAOYSA-N
XLogP2.24
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine
CID 126892964
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]azepane
CID 112922347
1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
CID 126893111
2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
CID 110096160
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
CID 126892909
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]phthalazine
CID 126892995
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 126892897
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126892840
3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126893053
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907570

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine (CID 126892916) is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)n1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is KUTFTRGSSXGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5/c1-14-11-15(2)22-19(21-14)25-12-18(13-25)24-9-7-23(8-10-24)17-5-3-16(20)4-6-17/h3-6,11,18H,7-10,12-13H2,1-2H3.
What are the key properties of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine?
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 341.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 126892916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).