7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine

C20H21Cl2N5S — CID 139427308

IUPAC7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine
SMILESNC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)C1
InChIInChI=1S/C20H21Cl2N5S/c21-14-2-1-3-15(17(14)22)28-16-12-25-19(27-9-6-24-18(16)27)26-7-4-20(5-8-26)10-13(23)11-20/h1-3,6,9,12-13H,4-5,7-8,10-11,23H2
InChIKeyZDLMTXYHEFYIPJ-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.89
Rot. Bonds3

About 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine

7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine (PubChem CID 139427308) has the molecular formula C20H21Cl2N5S and a molecular weight of 434.40 g/mol. Its IUPAC name is 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine
PubChem CID139427308
Molecular FormulaC20H21Cl2N5S
Molecular Weight434.40 g/mol
Exact Mass433.09
IUPAC Name7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine
SMILESNC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)C1
InChIInChI=1S/C20H21Cl2N5S/c21-14-2-1-3-15(17(14)22)28-16-12-25-19(27-9-6-24-18(16)27)26-7-4-20(5-8-26)10-13(23)11-20/h1-3,6,9,12-13H,4-5,7-8,10-11,23H2
InChIKeyZDLMTXYHEFYIPJ-UHFFFAOYSA-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
(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
US11179397, Example 119
CID 139427294
1-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)piperidin-4-amine
CID 139427307
US11179397, Example 45
CID 139427331
US11179397, Example 61
CID 139427431
(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
(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

Frequently Asked Questions

What is the IUPAC name of 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine (CID 139427308) is 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine is NC1CC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2)C1.
What is the InChIKey of 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is ZDLMTXYHEFYIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5S/c21-14-2-1-3-15(17(14)22)28-16-12-25-19(27-9-6-24-18(16)27)26-7-4-20(5-8-26)10-13(23)11-20/h1-3,6,9,12-13H,4-5,7-8,10-11,23H2.
What are the key properties of 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine?
7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-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 7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 139427308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).