1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

C22H30N4O2 — CID 95871623

IUPAC1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCCN3Cc3ccc([C@H]4CCCCO4)o3)CC2)nc1
InChIInChI=1S/C22H30N4O2/c1-2-16-27-19(5-1)20-7-6-18(28-20)17-26-13-3-8-22(26)9-14-25(15-10-22)21-23-11-4-12-24-21/h4,6-7,11-12,19H,1-3,5,8-10,13-17H2/t19-/m1/s1
InChIKeyCSLXYUWHVPMBGP-LJQANCHMSA-N
MW382.51 g/mol
LogP3.95
Rot. Bonds4

About 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 95871623) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID95871623
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCCN3Cc3ccc([C@H]4CCCCO4)o3)CC2)nc1
InChIInChI=1S/C22H30N4O2/c1-2-16-27-19(5-1)20-7-6-18(28-20)17-26-13-3-8-22(26)9-14-25(15-10-22)21-23-11-4-12-24-21/h4,6-7,11-12,19H,1-3,5,8-10,13-17H2/t19-/m1/s1
InChIKeyCSLXYUWHVPMBGP-LJQANCHMSA-N
XLogP3.95
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 95871623) is 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is c1cnc(N2CCC3(CCCN3Cc3ccc([C@H]4CCCCO4)o3)CC2)nc1.
What is the InChIKey of 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is CSLXYUWHVPMBGP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-16-27-19(5-1)20-7-6-18(28-20)17-26-13-3-8-22(26)9-14-25(15-10-22)21-23-11-4-12-24-21/h4,6-7,11-12,19H,1-3,5,8-10,13-17H2/t19-/m1/s1.
What are the key properties of 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 382.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 95871623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).