2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C16H20N6O2S — CID 136663677

IUPAC2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)C1=NC2(CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)C(=O)N1
InChIInChI=1S/C16H20N6O2S/c1-21(2)15-19-14(24)16(20-15)4-6-22(7-5-16)9-11-17-10-3-8-25-12(10)13(23)18-11/h3,8H,4-7,9H2,1-2H3,(H,17,18,23)(H,19,20,24)
InChIKeyVYCPXZDDZSRCQO-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.37
Rot. Bonds2

About 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136663677) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136663677
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)C1=NC2(CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)C(=O)N1
InChIInChI=1S/C16H20N6O2S/c1-21(2)15-19-14(24)16(20-15)4-6-22(7-5-16)9-11-17-10-3-8-25-12(10)13(23)18-11/h3,8H,4-7,9H2,1-2H3,(H,17,18,23)(H,19,20,24)
InChIKeyVYCPXZDDZSRCQO-UHFFFAOYSA-N
XLogP0.37
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135496263
2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 74231047
2-[(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136907651
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869251
2-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136924583
2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869253
2-[[(3R)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137048523
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135625070
2-[(3-methyl-4-oxopiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136997126
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157017465
2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136811801
8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 77096133

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 136663677) is 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CN(C)C1=NC2(CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)C(=O)N1.
What is the InChIKey of 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VYCPXZDDZSRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-21(2)15-19-14(24)16(20-15)4-6-22(7-5-16)9-11-17-10-3-8-25-12(10)13(23)18-11/h3,8H,4-7,9H2,1-2H3,(H,17,18,23)(H,19,20,24).
What are the key properties of 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 360.44 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136663677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).