2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol

C25H43N3O2 — CID 132961465

IUPAC2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol
SMILESCCCCCCCCCCCCCCc1nc(N2CCC2)nc(OC2CCC2)c1O
InChIInChI=1S/C25H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-23(29)24(30-21-16-14-17-21)27-25(26-22)28-19-15-20-28/h21,29H,2-20H2,1H3
InChIKeyWCSDOLDTABDXDZ-UHFFFAOYSA-N
MW417.64 g/mol
LogP6.57
Rot. Bonds16

About 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol

2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol (PubChem CID 132961465) has the molecular formula C25H43N3O2 and a molecular weight of 417.64 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol
PubChem CID132961465
Molecular FormulaC25H43N3O2
Molecular Weight417.64 g/mol
Exact Mass417.34
IUPAC Name2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol
SMILESCCCCCCCCCCCCCCc1nc(N2CCC2)nc(OC2CCC2)c1O
InChIInChI=1S/C25H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-23(29)24(30-21-16-14-17-21)27-25(26-22)28-19-15-20-28/h21,29H,2-20H2,1H3
InChIKeyWCSDOLDTABDXDZ-UHFFFAOYSA-N
XLogP6.57
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.64
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol?
The IUPAC name of 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol (CID 132961465) is 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol.
What is the SMILES notation for 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol?
The canonical SMILES for 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol is CCCCCCCCCCCCCCc1nc(N2CCC2)nc(OC2CCC2)c1O.
What is the InChIKey of 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol?
The InChIKey is WCSDOLDTABDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-23(29)24(30-21-16-14-17-21)27-25(26-22)28-19-15-20-28/h21,29H,2-20H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol?
2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol has a molecular weight of 417.64 g/mol, XLogP of 6.57, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol is sourced from PubChem (CID 132961465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).