2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

C15H22N4O — CID 118745288

IUPAC2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESc1cnc(N2CCC3(CN(CC4CCOC4)C3)C2)nc1
InChIInChI=1S/C15H22N4O/c1-4-16-14(17-5-1)19-6-3-15(12-19)10-18(11-15)8-13-2-7-20-9-13/h1,4-5,13H,2-3,6-12H2
InChIKeyLTLBKVHSKUGBQP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.03
Rot. Bonds3

About 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 118745288) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID118745288
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESc1cnc(N2CCC3(CN(CC4CCOC4)C3)C2)nc1
InChIInChI=1S/C15H22N4O/c1-4-16-14(17-5-1)19-6-3-15(12-19)10-18(11-15)8-13-2-7-20-9-13/h1,4-5,13H,2-3,6-12H2
InChIKeyLTLBKVHSKUGBQP-UHFFFAOYSA-N
XLogP1.03
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (CID 118745288) is 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is c1cnc(N2CCC3(CN(CC4CCOC4)C3)C2)nc1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is LTLBKVHSKUGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-16-14(17-5-1)19-6-3-15(12-19)10-18(11-15)8-13-2-7-20-9-13/h1,4-5,13H,2-3,6-12H2.
What are the key properties of 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 274.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 118745288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).