5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine

C14H22FN5 — CID 126892432

IUPAC5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
SMILESCC(C)N1CCN(C2CN(c3ncncc3F)C2)CC1
InChIInChI=1S/C14H22FN5/c1-11(2)18-3-5-19(6-4-18)12-8-20(9-12)14-13(15)7-16-10-17-14/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeyHXGAORCLULOIGT-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.83
Rot. Bonds3

About 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine

5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine (PubChem CID 126892432) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
PubChem CID126892432
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC Name5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
SMILESCC(C)N1CCN(C2CN(c3ncncc3F)C2)CC1
InChIInChI=1S/C14H22FN5/c1-11(2)18-3-5-19(6-4-18)12-8-20(9-12)14-13(15)7-16-10-17-14/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeyHXGAORCLULOIGT-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892462
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892410
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126892405
3-(5-fluoropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129216597
4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine
CID 171999318
5-(5-fluoropyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 146079596
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582483
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126892246
2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole
CID 126892292
4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine
CID 175648838
5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126892374
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine (CID 126892432) is 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine is CC(C)N1CCN(C2CN(c3ncncc3F)C2)CC1.
What is the InChIKey of 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The InChIKey is HXGAORCLULOIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-11(2)18-3-5-19(6-4-18)12-8-20(9-12)14-13(15)7-16-10-17-14/h7,10-12H,3-6,8-9H2,1-2H3.
What are the key properties of 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine has a molecular weight of 279.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 126892432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).