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

C18H24N4OS — CID 118746651

IUPAC11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C18H24N4OS/c1-4-16(24-11-1)12-21-8-2-5-18(13-21)14-22(9-10-23-15-18)17-19-6-3-7-20-17/h1,3-4,6-7,11H,2,5,8-10,12-15H2
InChIKeyWZEDPDPAMYUNAJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.66
Rot. Bonds3

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

11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118746651) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118746651
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CCCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C18H24N4OS/c1-4-16(24-11-1)12-21-8-2-5-18(13-21)14-22(9-10-23-15-18)17-19-6-3-7-20-17/h1,3-4,6-7,11H,2,5,8-10,12-15H2
InChIKeyWZEDPDPAMYUNAJ-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118746651) is 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cnc(N2CCOCC3(CCCN(Cc4cccs4)C3)C2)nc1.
What is the InChIKey of 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is WZEDPDPAMYUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-4-16(24-11-1)12-21-8-2-5-18(13-21)14-22(9-10-23-15-18)17-19-6-3-7-20-17/h1,3-4,6-7,11H,2,5,8-10,12-15H2.
What are the key properties of 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 344.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118746651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).