2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C16H24N4OS — CID 72887514

IUPAC2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCSc1nccc(N2CCC3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C16H24N4OS/c1-12(2)20-9-4-6-16(14(20)21)7-10-19(11-16)13-5-8-17-15(18-13)22-3/h5,8,12H,4,6-7,9-11H2,1-3H3
InChIKeyYCLCRICWODHGHQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72887514) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72887514
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCSc1nccc(N2CCC3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C16H24N4OS/c1-12(2)20-9-4-6-16(14(20)21)7-10-19(11-16)13-5-8-17-15(18-13)22-3/h5,8,12H,4,6-7,9-11H2,1-3H3
InChIKeyYCLCRICWODHGHQ-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72887514) is 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CSc1nccc(N2CCC3(CCCN(C(C)C)C3=O)C2)n1.
What is the InChIKey of 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YCLCRICWODHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12(2)20-9-4-6-16(14(20)21)7-10-19(11-16)13-5-8-17-15(18-13)22-3/h5,8,12H,4,6-7,9-11H2,1-3H3.
What are the key properties of 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 320.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpyrimidin-4-yl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72887514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).