9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C18H24N4OS — CID 97450777

IUPAC9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1
InChIInChI=1S/C18H24N4OS/c1-15-11-19-17(20-12-15)22-6-4-18(5-7-22)14-21(8-9-23-18)13-16-3-2-10-24-16/h2-3,10-12H,4-9,13-14H2,1H3
InChIKeyLCHZWKCIWPOIQH-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.72
Rot. Bonds3

About 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450777) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450777
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1
InChIInChI=1S/C18H24N4OS/c1-15-11-19-17(20-12-15)22-6-4-18(5-7-22)14-21(8-9-23-18)13-16-3-2-10-24-16/h2-3,10-12H,4-9,13-14H2,1H3
InChIKeyLCHZWKCIWPOIQH-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450777) is 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1.
What is the InChIKey of 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is LCHZWKCIWPOIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15-11-19-17(20-12-15)22-6-4-18(5-7-22)14-21(8-9-23-18)13-16-3-2-10-24-16/h2-3,10-12H,4-9,13-14H2,1H3.
What are the key properties of 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 344.48 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylpyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).