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

C18H21FN4O — CID 91778786

IUPAC3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CC(OCc4ccccc4F)C3)ncn2)C1
InChIInChI=1S/C18H21FN4O/c19-16-4-2-1-3-12(16)10-24-15-8-23(9-15)18-7-17(21-11-22-18)13-5-14(20)6-13/h1-4,7,11,13-15H,5-6,8-10,20H2
InChIKeyROLUQODQWVWBIO-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.23
Rot. Bonds5

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

3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91778786) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91778786
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CC(OCc4ccccc4F)C3)ncn2)C1
InChIInChI=1S/C18H21FN4O/c19-16-4-2-1-3-12(16)10-24-15-8-23(9-15)18-7-17(21-11-22-18)13-5-14(20)6-13/h1-4,7,11,13-15H,5-6,8-10,20H2
InChIKeyROLUQODQWVWBIO-UHFFFAOYSA-N
XLogP2.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (CID 91778786) is 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is NC1CC(c2cc(N3CC(OCc4ccccc4F)C3)ncn2)C1.
What is the InChIKey of 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is ROLUQODQWVWBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-16-4-2-1-3-12(16)10-24-15-8-23(9-15)18-7-17(21-11-22-18)13-5-14(20)6-13/h1-4,7,11,13-15H,5-6,8-10,20H2.
What are the key properties of 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 328.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91778786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).