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

C20H21Cl2N5OS — CID 139427506

IUPAC(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCOC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C20H21Cl2N5OS/c21-13-2-1-3-14(17(13)22)29-15-12-25-19(27-10-7-24-18(15)27)26-8-5-20(6-9-26)16(23)4-11-28-20/h1-3,7,10,12,16H,4-6,8-9,11,23H2/t16-/m1/s1
InChIKeyUHMWHTNTVCLHHJ-MRXNPFEDSA-N
MW450.40 g/mol
LogP4.27
Rot. Bonds3

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

(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427506) has the molecular formula C20H21Cl2N5OS and a molecular weight of 450.40 g/mol. Its IUPAC name is (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID139427506
Molecular FormulaC20H21Cl2N5OS
Molecular Weight450.40 g/mol
Exact Mass449.08
IUPAC Name(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCOC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C20H21Cl2N5OS/c21-13-2-1-3-14(17(13)22)29-15-12-25-19(27-10-7-24-18(15)27)26-8-5-20(6-9-26)16(23)4-11-28-20/h1-3,7,10,12,16H,4-6,8-9,11,23H2/t16-/m1/s1
InChIKeyUHMWHTNTVCLHHJ-MRXNPFEDSA-N
XLogP4.27
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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
US11179397, Example 31
CID 139427543
(3S,4S)-8-(8-((2,3-dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 139427223
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
(S)-8-(8-((2,3-dichloropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 139427310
(3R,4S)-8-(8-((2,3-dichlorophenyl)thio)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 139427395
(S)-8-(8-((2,3-dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 139427459
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 (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine (CID 139427506) is (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-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]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCOC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is UHMWHTNTVCLHHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21Cl2N5OS/c21-13-2-1-3-14(17(13)22)29-15-12-25-19(27-10-7-24-18(15)27)26-8-5-20(6-9-26)16(23)4-11-28-20/h1-3,7,10,12,16H,4-6,8-9,11,23H2/t16-/m1/s1.
What are the key properties of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 450.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).