2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one

C17H26N4OS — CID 72864088

IUPAC2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCSc1nccc(N2CCC3(CC2)CC(=O)N(CC(C)C)C3)n1
InChIInChI=1S/C17H26N4OS/c1-13(2)11-21-12-17(10-15(21)22)5-8-20(9-6-17)14-4-7-18-16(19-14)23-3/h4,7,13H,5-6,8-12H2,1-3H3
InChIKeyRXLSRGDPAHQYLO-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one

2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72864088) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72864088
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCSc1nccc(N2CCC3(CC2)CC(=O)N(CC(C)C)C3)n1
InChIInChI=1S/C17H26N4OS/c1-13(2)11-21-12-17(10-15(21)22)5-8-20(9-6-17)14-4-7-18-16(19-14)23-3/h4,7,13H,5-6,8-12H2,1-3H3
InChIKeyRXLSRGDPAHQYLO-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 72864088) is 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one is CSc1nccc(N2CCC3(CC2)CC(=O)N(CC(C)C)C3)n1.
What is the InChIKey of 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RXLSRGDPAHQYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-13(2)11-21-12-17(10-15(21)22)5-8-20(9-6-17)14-4-7-18-16(19-14)23-3/h4,7,13H,5-6,8-12H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 334.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-(2-methylsulfanylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72864088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).