4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine

C18H22FN5 — CID 126892964

IUPAC4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)ncn1
InChIInChI=1S/C18H22FN5/c1-14-10-18(21-13-20-14)24-11-17(12-24)23-8-6-22(7-9-23)16-4-2-15(19)3-5-16/h2-5,10,13,17H,6-9,11-12H2,1H3
InChIKeyOWQYUHOFIVSJSI-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.93
Rot. Bonds3

About 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine

4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine (PubChem CID 126892964) has the molecular formula C18H22FN5 and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine
PubChem CID126892964
Molecular FormulaC18H22FN5
Molecular Weight327.41 g/mol
Exact Mass327.19
IUPAC Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)ncn1
InChIInChI=1S/C18H22FN5/c1-14-10-18(21-13-20-14)24-11-17(12-24)23-8-6-22(7-9-23)16-4-2-15(19)3-5-16/h2-5,10,13,17H,6-9,11-12H2,1H3
InChIKeyOWQYUHOFIVSJSI-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.93
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]-4,6-dimethylpyrimidine
CID 126892916
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
CID 126892909
4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine
CID 66201241
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 115416249
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine
CID 126893222
1-(4-fluorophenyl)-4-[3-(6-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl]pyrrolidin-2-one
CID 172905971
4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315643
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126893157
1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
CID 126893111
5-(5-fluoropyrimidin-2-yl)-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931694

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine (CID 126892964) is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine is Cc1cc(N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)ncn1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine?
The InChIKey is OWQYUHOFIVSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5/c1-14-10-18(21-13-20-14)24-11-17(12-24)23-8-6-22(7-9-23)16-4-2-15(19)3-5-16/h2-5,10,13,17H,6-9,11-12H2,1H3.
What are the key properties of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine?
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine has a molecular weight of 327.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 126892964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).