2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C19H30N4O2 — CID 118746140

IUPAC2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCCN(CC4CCOCC4)C3)C2)nc1
InChIInChI=1S/C19H30N4O2/c1-5-19(14-22(8-1)13-17-3-10-24-11-4-17)15-23(9-12-25-16-19)18-20-6-2-7-21-18/h2,6-7,17H,1,3-5,8-16H2
InChIKeyHQHBAKLJVVGNBA-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.82
Rot. Bonds3

About 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118746140) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118746140
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCCN(CC4CCOCC4)C3)C2)nc1
InChIInChI=1S/C19H30N4O2/c1-5-19(14-22(8-1)13-17-3-10-24-11-4-17)15-23(9-12-25-16-19)18-20-6-2-7-21-18/h2,6-7,17H,1,3-5,8-16H2
InChIKeyHQHBAKLJVVGNBA-UHFFFAOYSA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118746140) is 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cnc(N2CCOCC3(CCCN(CC4CCOCC4)C3)C2)nc1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is HQHBAKLJVVGNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-19(14-22(8-1)13-17-3-10-24-11-4-17)15-23(9-12-25-16-19)18-20-6-2-7-21-18/h2,6-7,17H,1,3-5,8-16H2.
What are the key properties of 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 346.48 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118746140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).