[2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

C18H24N4OS — CID 91910572

IUPAC[2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ncccn2)CC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C18H24N4OS/c23-12-16-11-22(17-19-5-1-6-20-17)14-18(16)3-7-21(8-4-18)10-15-2-9-24-13-15/h1-2,5-6,9,13,16,23H,3-4,7-8,10-12,14H2
InChIKeyXXTZOIYSLCFFSX-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.25
Rot. Bonds4

About [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91910572) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91910572
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ncccn2)CC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C18H24N4OS/c23-12-16-11-22(17-19-5-1-6-20-17)14-18(16)3-7-21(8-4-18)10-15-2-9-24-13-15/h1-2,5-6,9,13,16,23H,3-4,7-8,10-12,14H2
InChIKeyXXTZOIYSLCFFSX-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91910572) is [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(c2ncccn2)CC12CCN(Cc1ccsc1)CC2.
What is the InChIKey of [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is XXTZOIYSLCFFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-12-16-11-22(17-19-5-1-6-20-17)14-18(16)3-7-21(8-4-18)10-15-2-9-24-13-15/h1-2,5-6,9,13,16,23H,3-4,7-8,10-12,14H2.
What are the key properties of [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 344.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91910572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).