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

C22H25Cl2N5S — CID 139427565

IUPAC(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
SMILESCC1CCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C22H25Cl2N5S/c1-14-5-6-22(19(14)25)7-10-28(11-8-22)21-27-13-17(20-26-9-12-29(20)21)30-16-4-2-3-15(23)18(16)24/h2-4,9,12-14,19H,5-8,10-11,25H2,1H3/t14?,19-/m1/s1
InChIKeyDKAVDQYKBVVGNZ-JANGERMGSA-N
MW462.45 g/mol
LogP5.53
Rot. Bonds3

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

(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427565) 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]-3-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]-3-methyl-8-azaspiro[4.5]decan-4-amine
PubChem CID139427565
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]-3-methyl-8-azaspiro[4.5]decan-4-amine
SMILESCC1CCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C22H25Cl2N5S/c1-14-5-6-22(19(14)25)7-10-28(11-8-22)21-27-13-17(20-26-9-12-29(20)21)30-16-4-2-3-15(23)18(16)24/h2-4,9,12-14,19H,5-8,10-11,25H2,1H3/t14?,19-/m1/s1
InChIKeyDKAVDQYKBVVGNZ-JANGERMGSA-N
XLogP5.53
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.45
LogP ≤ 55.53
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
(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
US11179397, Example 45
CID 139427331
(R)-8-(8-((2,3-dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427435
(1-(8-((2,3-Dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-4-methylpiperidin-4-yl)methanamine
CID 139427446

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-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]-3-methyl-8-azaspiro[4.5]decan-4-amine (CID 139427565) is (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-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]-3-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]-3-methyl-8-azaspiro[4.5]decan-4-amine is CC1CCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine?
The InChIKey is DKAVDQYKBVVGNZ-JANGERMGSA-N. The full InChI is InChI=1S/C22H25Cl2N5S/c1-14-5-6-22(19(14)25)7-10-28(11-8-22)21-27-13-17(20-26-9-12-29(20)21)30-16-4-2-3-15(23)18(16)24/h2-4,9,12-14,19H,5-8,10-11,25H2,1H3/t14?,19-/m1/s1.
What are the key properties of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine has a molecular weight of 462.45 g/mol, XLogP of 5.53, 3 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]-3-methyl-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).