(8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine

C20H21Cl2N5S — CID 139427320

IUPAC(8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine
SMILESN[C@@H]1CCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1
InChIInChI=1S/C20H21Cl2N5S/c21-14-2-1-3-15(17(14)22)28-16-11-25-19(27-9-7-24-18(16)27)26-8-6-20(12-26)5-4-13(23)10-20/h1-3,7,9,11,13H,4-6,8,10,12,23H2/t13-,20?/m1/s1
InChIKeyZRQYSEWVBSIYQW-CRIUFTBBSA-N
MW434.40 g/mol
LogP4.89
Rot. Bonds3

About (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine

(8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine (PubChem CID 139427320) has the molecular formula C20H21Cl2N5S and a molecular weight of 434.40 g/mol. Its IUPAC name is (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine.

Molecular Properties

Compound Name(8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine
PubChem CID139427320
Molecular FormulaC20H21Cl2N5S
Molecular Weight434.40 g/mol
Exact Mass433.09
IUPAC Name(8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine
SMILESN[C@@H]1CCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1
InChIInChI=1S/C20H21Cl2N5S/c21-14-2-1-3-15(17(14)22)28-16-11-25-19(27-9-7-24-18(16)27)26-8-6-20(12-26)5-4-13(23)10-20/h1-3,7,9,11,13H,4-6,8,10,12,23H2/t13-,20?/m1/s1
InChIKeyZRQYSEWVBSIYQW-CRIUFTBBSA-N
XLogP4.89
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.89
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
(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
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 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
(1R)-8-(8-((2,3-dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-8-azaspiro[4.5]decan-1-amine
CID 139427460
(R)-8-(8-((3-chloro-2-(dimethylamino)pyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427498
US11179397, Example 43
CID 139427499
(R)-7-(8-((2,3-dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-7-azaspiro[3.5]nonan-1-amine
CID 139427503
US11179397, Example 44
CID 139427505

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine?
The IUPAC name of (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine (CID 139427320) is (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine.
What is the SMILES notation for (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine?
The canonical SMILES for (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine is N[C@@H]1CCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)C2)C1.
What is the InChIKey of (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine?
The InChIKey is ZRQYSEWVBSIYQW-CRIUFTBBSA-N. The full InChI is InChI=1S/C20H21Cl2N5S/c21-14-2-1-3-15(17(14)22)28-16-11-25-19(27-9-7-24-18(16)27)26-8-6-20(12-26)5-4-13(23)10-20/h1-3,7,9,11,13H,4-6,8,10,12,23H2/t13-,20?/m1/s1.
What are the key properties of (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine?
(8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine has a molecular weight of 434.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-azaspiro[4.4]nonan-8-amine is sourced from PubChem (CID 139427320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).