[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone

C18H18N4O3 — CID 58547745

IUPAC[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC(Oc2ncccc2C2=CCOCC2)C1
InChIInChI=1S/C18H18N4O3/c23-18(16-3-7-19-12-21-16)22-10-14(11-22)25-17-15(2-1-6-20-17)13-4-8-24-9-5-13/h1-4,6-7,12,14H,5,8-11H2
InChIKeyMCTAHBZOFDKPBM-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.58
Rot. Bonds4

About [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone

[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 58547745) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID58547745
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC(Oc2ncccc2C2=CCOCC2)C1
InChIInChI=1S/C18H18N4O3/c23-18(16-3-7-19-12-21-16)22-10-14(11-22)25-17-15(2-1-6-20-17)13-4-8-24-9-5-13/h1-4,6-7,12,14H,5,8-11H2
InChIKeyMCTAHBZOFDKPBM-UHFFFAOYSA-N
XLogP1.58
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone (CID 58547745) is [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CC(Oc2ncccc2C2=CCOCC2)C1.
What is the InChIKey of [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is MCTAHBZOFDKPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-18(16-3-7-19-12-21-16)22-10-14(11-22)25-17-15(2-1-6-20-17)13-4-8-24-9-5-13/h1-4,6-7,12,14H,5,8-11H2.
What are the key properties of [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone?
[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 338.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 58547745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).