(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C21H23Cl2N5S — CID 139427633

IUPAC(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3c(Cl)cccc3Cl)c3nccn13)CC2
InChIInChI=1S/C21H23Cl2N5S/c22-14-3-1-4-15(23)18(14)29-16-13-26-20(28-12-9-25-19(16)28)27-10-7-21(8-11-27)6-2-5-17(21)24/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2/t17-/m1/s1
InChIKeyFGXZYHJLEVUMLX-QGZVFWFLSA-N
MW448.42 g/mol
LogP5.29
Rot. Bonds3

About (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427633) has the molecular formula C21H23Cl2N5S and a molecular weight of 448.42 g/mol. Its IUPAC name is (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID139427633
Molecular FormulaC21H23Cl2N5S
Molecular Weight448.42 g/mol
Exact Mass447.11
IUPAC Name(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3c(Cl)cccc3Cl)c3nccn13)CC2
InChIInChI=1S/C21H23Cl2N5S/c22-14-3-1-4-15(23)18(14)29-16-13-26-20(28-12-9-25-19(16)28)27-10-7-21(8-11-27)6-2-5-17(21)24/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2/t17-/m1/s1
InChIKeyFGXZYHJLEVUMLX-QGZVFWFLSA-N
XLogP5.29
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[8-(3-chloropyridazin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 175751480
(4R)-8-(8-pyridin-2-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
CID 139427263
(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 146466905
8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 164743569
(11R)-3-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-azaspiro[5.5]undecan-11-amine
CID 151600041
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 155408810
8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427572
1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine
CID 158134532
(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427222
(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
CID 155591726
(4R)-8-[5-(2,3-dichlorophenyl)sulfanyl-6-imino-1-methanimidoylpyrimidin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427669

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 139427633) is (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(Sc3c(Cl)cccc3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is FGXZYHJLEVUMLX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23Cl2N5S/c22-14-3-1-4-15(23)18(14)29-16-13-26-20(28-12-9-25-19(16)28)27-10-7-21(8-11-27)6-2-5-17(21)24/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2/t17-/m1/s1.
What are the key properties of (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 448.42 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).