4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C20H24FN5O — CID 126893157

IUPAC4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFc1ccc(N2CCN(C3CN(c4ncnc5c4COCC5)C3)CC2)cc1
InChIInChI=1S/C20H24FN5O/c21-15-1-3-16(4-2-15)24-6-8-25(9-7-24)17-11-26(12-17)20-18-13-27-10-5-19(18)22-14-23-20/h1-4,14,17H,5-13H2
InChIKeyXTZXWGJBQASJJP-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.70
Rot. Bonds3

About 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 126893157) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID126893157
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFc1ccc(N2CCN(C3CN(c4ncnc5c4COCC5)C3)CC2)cc1
InChIInChI=1S/C20H24FN5O/c21-15-1-3-16(4-2-15)24-6-8-25(9-7-24)17-11-26(12-17)20-18-13-27-10-5-19(18)22-14-23-20/h1-4,14,17H,5-13H2
InChIKeyXTZXWGJBQASJJP-UHFFFAOYSA-N
XLogP1.70
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidine
CID 126893222
4-[2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]ethyl]-1,4-oxazepane
CID 126893121
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-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126892911
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]phthalazine
CID 126892995
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126947061
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
CID 126892909
4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126931871
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
CID 126892916
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol
CID 166365672

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 126893157) is 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Fc1ccc(N2CCN(C3CN(c4ncnc5c4COCC5)C3)CC2)cc1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is XTZXWGJBQASJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-15-1-3-16(4-2-15)24-6-8-25(9-7-24)17-11-26(12-17)20-18-13-27-10-5-19(18)22-14-23-20/h1-4,14,17H,5-13H2.
What are the key properties of 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 369.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 126893157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).