N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine

C15H19N5O2S — CID 171359289

IUPACN-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESO=S1(=O)CC[C@H](Nc2cc(-n3ccnc3)ncn2)CC12CCC2
InChIInChI=1S/C15H19N5O2S/c21-23(22)7-2-12(9-15(23)3-1-4-15)19-13-8-14(18-10-17-13)20-6-5-16-11-20/h5-6,8,10-12H,1-4,7,9H2,(H,17,18,19)/t12-/m0/s1
InChIKeyWZTIYQLTILGQJO-LBPRGKRZSA-N
MW333.42 g/mol
LogP1.57
Rot. Bonds3

About N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine

N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine (PubChem CID 171359289) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine
PubChem CID171359289
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESO=S1(=O)CC[C@H](Nc2cc(-n3ccnc3)ncn2)CC12CCC2
InChIInChI=1S/C15H19N5O2S/c21-23(22)7-2-12(9-15(23)3-1-4-15)19-13-8-14(18-10-17-13)20-6-5-16-11-20/h5-6,8,10-12H,1-4,7,9H2,(H,17,18,19)/t12-/m0/s1
InChIKeyWZTIYQLTILGQJO-LBPRGKRZSA-N
XLogP1.57
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine (CID 171359289) is N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine is O=S1(=O)CC[C@H](Nc2cc(-n3ccnc3)ncn2)CC12CCC2.
What is the InChIKey of N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine?
The InChIKey is WZTIYQLTILGQJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-23(22)7-2-12(9-15(23)3-1-4-15)19-13-8-14(18-10-17-13)20-6-5-16-11-20/h5-6,8,10-12H,1-4,7,9H2,(H,17,18,19)/t12-/m0/s1.
What are the key properties of N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine?
N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S)-5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 171359289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).