(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine

C22H25Cl2N5S — CID 139427564

IUPAC(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine
SMILESCN[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C22H25Cl2N5S/c1-25-18-6-3-7-22(18)8-11-28(12-9-22)21-27-14-17(20-26-10-13-29(20)21)30-16-5-2-4-15(23)19(16)24/h2,4-5,10,13-14,18,25H,3,6-9,11-12H2,1H3/t18-/m1/s1
InChIKeyYTSOQNZDXDWFEM-GOSISDBHSA-N
MW462.45 g/mol
LogP5.55
Rot. Bonds4

About (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427564) has the molecular formula C22H25Cl2N5S and a molecular weight of 462.45 g/mol. Its IUPAC name is (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine
PubChem CID139427564
Molecular FormulaC22H25Cl2N5S
Molecular Weight462.45 g/mol
Exact Mass461.12
IUPAC Name(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine
SMILESCN[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C22H25Cl2N5S/c1-25-18-6-3-7-22(18)8-11-28(12-9-22)21-27-14-17(20-26-10-13-29(20)21)30-16-5-2-4-15(23)19(16)24/h2,4-5,10,13-14,18,25H,3,6-9,11-12H2,1H3/t18-/m1/s1
InChIKeyYTSOQNZDXDWFEM-GOSISDBHSA-N
XLogP5.55
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 139427650
(R)-8-(8-((3-chloro-2-fluoropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427716
(4R)-8-[8-(6-amino-2,3-dichloropyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334931
(4R)-8-[8-(6-amino-3-chloro-2-methylpyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334932
(R)-8-(8-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427229
US11179397, Example 119
CID 139427294
1-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)piperidin-4-amine
CID 139427307
7-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-7-azaspiro[3.5]nonan-2-amine
CID 139427308
US11179397, Example 52
CID 139427315
(1R)-8-(8-((2-amino-3-chloropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-3-methyl-8-azaspiro[4.5]decan-1-amine
CID 139427324
(R)-N-(3-((5-(1-amino-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl)thio)-2-chlorophenyl)acrylamide
CID 139427329
US11179397, Example 45
CID 139427331

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine (CID 139427564) is (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine is CN[C@@H]1CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine?
The InChIKey is YTSOQNZDXDWFEM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25Cl2N5S/c1-25-18-6-3-7-22(18)8-11-28(12-9-22)21-27-14-17(20-26-10-13-29(20)21)30-16-5-2-4-15(23)19(16)24/h2,4-5,10,13-14,18,25H,3,6-9,11-12H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine has a molecular weight of 462.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).