3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C18H21FN4O2 — CID 91791280

IUPAC3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CC(OCc3cccc(F)c3)C2)n1
InChIInChI=1S/C18H21FN4O2/c19-13-3-1-2-11(4-13)10-25-15-8-23(9-15)17-7-16(21-18(20)22-17)12-5-14(24)6-12/h1-4,7,12,14-15,24H,5-6,8-10H2,(H2,20,21,22)
InChIKeyAZRVFVMJNLQIQY-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.84
Rot. Bonds5

About 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91791280) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91791280
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CC(OCc3cccc(F)c3)C2)n1
InChIInChI=1S/C18H21FN4O2/c19-13-3-1-2-11(4-13)10-25-15-8-23(9-15)17-7-16(21-18(20)22-17)12-5-14(24)6-12/h1-4,7,12,14-15,24H,5-6,8-10H2,(H2,20,21,22)
InChIKeyAZRVFVMJNLQIQY-UHFFFAOYSA-N
XLogP1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cis-3-{2-Amino-6-[4-(4-fluorobenzyl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91766252
2-(4-Fluorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine
CID 56879557
cis-3-(2-amino-6-{methyl[(2E)-3-phenylprop-2-en-1-yl]amino}pyrimidin-4-yl)cyclobutanol
CID 91762280
cis-3-{2-Amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91788663
cis-3-[6-({2-[(4-Chlorobenzyl)oxy]ethyl}amino)pyrimidin-4-yl]cyclobutanol
CID 91795265
(cis-3-{6-[4-(Benzyloxy)piperidin-1-yl]pyrimidin-4-yl}cyclobutyl)amine
CID 91767649
N~4~-[2-(benzyloxy)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 72858579
4-[3-(Benzyloxy)azetidin-1-YL]-2,5,6-trimethylpyrimidine
CID 72860151
cis-3-{2-Amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91764718
[cis-3-(6-{3-[(2-Fluorobenzyl)oxy]azetidin-1-yl}pyrimidin-4-yl)cyclobutyl]amine
CID 91778786
3-[2-Amino-6-({2-[(4-chlorobenzyl)oxy]ethyl}amino)pyrimidin-4-yl]cyclobutanol
CID 91793782
1-[4-[(4-Fluoro-3-methylbenzyl)amino]-6-(tetrahydrofuran-3-yl)pyrimidin-2-yl]azetidin-3-ol
CID 119071089

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91791280) is 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(C2CC(O)C2)cc(N2CC(OCc3cccc(F)c3)C2)n1.
What is the InChIKey of 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is AZRVFVMJNLQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-13-3-1-2-11(4-13)10-25-15-8-23(9-15)17-7-16(21-18(20)22-17)12-5-14(24)6-12/h1-4,7,12,14-15,24H,5-6,8-10H2,(H2,20,21,22).
What are the key properties of 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 344.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91791280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).