[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine

C24H23Cl2N5S — CID 139427529

IUPAC[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine
SMILESNCC1(c2ccccc2)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C24H23Cl2N5S/c25-18-7-4-8-19(21(18)26)32-20-15-29-23(31-14-11-28-22(20)31)30-12-9-24(16-27,10-13-30)17-5-2-1-3-6-17/h1-8,11,14-15H,9-10,12-13,16,27H2
InChIKeyCSFYBPIEFKDUEV-UHFFFAOYSA-N
MW484.46 g/mol
LogP5.68
Rot. Bonds5

About [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine

[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine (PubChem CID 139427529) has the molecular formula C24H23Cl2N5S and a molecular weight of 484.46 g/mol. Its IUPAC name is [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine
PubChem CID139427529
Molecular FormulaC24H23Cl2N5S
Molecular Weight484.46 g/mol
Exact Mass483.11
IUPAC Name[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine
SMILESNCC1(c2ccccc2)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C24H23Cl2N5S/c25-18-7-4-8-19(21(18)26)32-20-15-29-23(31-14-11-28-22(20)31)30-12-9-24(16-27,10-13-30)17-5-2-1-3-6-17/h1-8,11,14-15H,9-10,12-13,16,27H2
InChIKeyCSFYBPIEFKDUEV-UHFFFAOYSA-N
XLogP5.68
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine 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
US10301278, Example 28
CID 118248926
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
(1-(8-((2,3-Dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-4-phenylpiperidin-4-yl)methanamine
CID 139427438
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
(1-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)pyrrolidin-3-yl)methanamine
CID 139427525
US11179397, Example 48
CID 139427531

Frequently Asked Questions

What is the IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine (CID 139427529) is [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine is NCC1(c2ccccc2)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1.
What is the InChIKey of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine?
The InChIKey is CSFYBPIEFKDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5S/c25-18-7-4-8-19(21(18)26)32-20-15-29-23(31-14-11-28-22(20)31)30-12-9-24(16-27,10-13-30)17-5-2-1-3-6-17/h1-8,11,14-15H,9-10,12-13,16,27H2.
What are the key properties of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine?
[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine has a molecular weight of 484.46 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-phenylpiperidin-4-yl]methanamine is sourced from PubChem (CID 139427529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).