(4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

C25H27N5S — CID 139427691

IUPAC(4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3cccc4ccccc34)c3nccn13)CC2
InChIInChI=1S/C25H27N5S/c26-22-9-4-10-25(22)11-14-29(15-12-25)24-28-17-21(23-27-13-16-30(23)24)31-20-8-3-6-18-5-1-2-7-19(18)20/h1-3,5-8,13,16-17,22H,4,9-12,14-15,26H2/t22-/m1/s1
InChIKeyGJDTYFPPMSDRRU-JOCHJYFZSA-N
MW429.59 g/mol
LogP5.13
Rot. Bonds3

About (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

(4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427691) has the molecular formula C25H27N5S and a molecular weight of 429.59 g/mol. Its IUPAC name is (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
PubChem CID139427691
Molecular FormulaC25H27N5S
Molecular Weight429.59 g/mol
Exact Mass429.20
IUPAC Name(4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3cccc4ccccc34)c3nccn13)CC2
InChIInChI=1S/C25H27N5S/c26-22-9-4-10-25(22)11-14-29(15-12-25)24-28-17-21(23-27-13-16-30(23)24)31-20-8-3-6-18-5-1-2-7-19(18)20/h1-3,5-8,13,16-17,22H,4,9-12,14-15,26H2/t22-/m1/s1
InChIKeyGJDTYFPPMSDRRU-JOCHJYFZSA-N
XLogP5.13
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (CID 139427691) is (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc4ccccc34)c3nccn13)CC2.
What is the InChIKey of (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The InChIKey is GJDTYFPPMSDRRU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27N5S/c26-22-9-4-10-25(22)11-14-29(15-12-25)24-28-17-21(23-27-13-16-30(23)24)31-20-8-3-6-18-5-1-2-7-19(18)20/h1-3,5-8,13,16-17,22H,4,9-12,14-15,26H2/t22-/m1/s1.
What are the key properties of (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
(4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine has a molecular weight of 429.59 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(8-naphthalen-1-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).