(6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H30N4OS — CID 97121384

IUPAC(6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1C[C@]2(CCCN(Cc3cnc(SC)nc3)C2)CCC1=O
InChIInChI=1S/C19H30N4OS/c1-3-4-10-23-15-19(8-6-17(23)24)7-5-9-22(14-19)13-16-11-20-18(25-2)21-12-16/h11-12H,3-10,13-15H2,1-2H3/t19-/m1/s1
InChIKeyPGUJGVDAJOQYPL-LJQANCHMSA-N
MW362.54 g/mol
LogP3.20
Rot. Bonds6

About (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97121384) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97121384
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name(6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1C[C@]2(CCCN(Cc3cnc(SC)nc3)C2)CCC1=O
InChIInChI=1S/C19H30N4OS/c1-3-4-10-23-15-19(8-6-17(23)24)7-5-9-22(14-19)13-16-11-20-18(25-2)21-12-16/h11-12H,3-10,13-15H2,1-2H3/t19-/m1/s1
InChIKeyPGUJGVDAJOQYPL-LJQANCHMSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6S)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121383
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
(6R)-8-[(4-ethoxyphenyl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576588
(6R)-2-(3-hydroxypropyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580737
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
(6S)-2-(3-hydroxypropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578434
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742005
8-[(5-ethylfuran-2-yl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70784758
8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744882
8-[(3,4-dimethylphenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740150
8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72920947

Frequently Asked Questions

What is the IUPAC name of (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97121384) is (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1C[C@]2(CCCN(Cc3cnc(SC)nc3)C2)CCC1=O.
What is the InChIKey of (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PGUJGVDAJOQYPL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-3-4-10-23-15-19(8-6-17(23)24)7-5-9-22(14-19)13-16-11-20-18(25-2)21-12-16/h11-12H,3-10,13-15H2,1-2H3/t19-/m1/s1.
What are the key properties of (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.54 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97121384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).