10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C18H28N4O2 — CID 118746905

IUPAC10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1cnc(N2CCC3(COCCN(CC4CCOCC4)C3)C2)nc1
InChIInChI=1S/C18H28N4O2/c1-5-19-17(20-6-1)22-7-4-18(14-22)13-21(8-11-24-15-18)12-16-2-9-23-10-3-16/h1,5-6,16H,2-4,7-15H2
InChIKeyAVOKONHPGOJLSB-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.43
Rot. Bonds3

About 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746905) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746905
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1cnc(N2CCC3(COCCN(CC4CCOCC4)C3)C2)nc1
InChIInChI=1S/C18H28N4O2/c1-5-19-17(20-6-1)22-7-4-18(14-22)13-21(8-11-24-15-18)12-16-2-9-23-10-3-16/h1,5-6,16H,2-4,7-15H2
InChIKeyAVOKONHPGOJLSB-UHFFFAOYSA-N
XLogP1.43
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746905) is 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is c1cnc(N2CCC3(COCCN(CC4CCOCC4)C3)C2)nc1.
What is the InChIKey of 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is AVOKONHPGOJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-19-17(20-6-1)22-7-4-18(14-22)13-21(8-11-24-15-18)12-16-2-9-23-10-3-16/h1,5-6,16H,2-4,7-15H2.
What are the key properties of 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 332.45 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).