5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)

C49H33Cl9N16S4 — CID 159190061

IUPAC5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)
SMILESCc1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nccn12.Cc1ncc(Sc2cccc(Cl)c2Cl)c2nccn12.Cc1ncc(Sc2cccc(Cl)c2Cl)c2nccn12.Nc1cc(Sc2cnc(Cl)n3ccnc23)c(Cl)c(Cl)n1
InChIInChI=1S/2C13H9Cl2N3S.C12H9Cl2N5S.C11H6Cl3N5S/c2*1-8-17-7-11(13-16-5-6-18(8)13)19-10-4-2-3-9(14)12(10)15;1-6-17-5-8(12-16-2-3-19(6)12)20-7-4-9(15)18-11(14)10(7)13;12-8-5(3-7(15)18-9(8)13)20-6-4-17-11(14)19-2-1-16-10(6)19/h2*2-7H,1H3;2-5H,1H3,(H2,15,18);1-4H,(H2,15,18)
InChIKeyKNYYOYWHRYJALE-UHFFFAOYSA-N
MW1293.26 g/mol
LogP16.28
Rot. Bonds8

About 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)

5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine) (PubChem CID 159190061) has the molecular formula C49H33Cl9N16S4 and a molecular weight of 1293.26 g/mol. Its IUPAC name is 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine).

Molecular Properties

Compound Name5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)
PubChem CID159190061
Molecular FormulaC49H33Cl9N16S4
Molecular Weight1293.26 g/mol
Exact Mass1287.92
IUPAC Name5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)
SMILESCc1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nccn12.Cc1ncc(Sc2cccc(Cl)c2Cl)c2nccn12.Cc1ncc(Sc2cccc(Cl)c2Cl)c2nccn12.Nc1cc(Sc2cnc(Cl)n3ccnc23)c(Cl)c(Cl)n1
InChIInChI=1S/2C13H9Cl2N3S.C12H9Cl2N5S.C11H6Cl3N5S/c2*1-8-17-7-11(13-16-5-6-18(8)13)19-10-4-2-3-9(14)12(10)15;1-6-17-5-8(12-16-2-3-19(6)12)20-7-4-9(15)18-11(14)10(7)13;12-8-5(3-7(15)18-9(8)13)20-6-4-17-11(14)19-2-1-16-10(6)19/h2*2-7H,1H3;2-5H,1H3,(H2,15,18);1-4H,(H2,15,18)
InChIKeyKNYYOYWHRYJALE-UHFFFAOYSA-N
XLogP16.28
TPSA198.58 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.26
LogP ≤ 516.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)?
The IUPAC name of 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine) (CID 159190061) is 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine).
What is the SMILES notation for 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)?
The canonical SMILES for 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine) is Cc1ncc(Sc2cc(N)nc(Cl)c2Cl)c2nccn12.Cc1ncc(Sc2cccc(Cl)c2Cl)c2nccn12.Cc1ncc(Sc2cccc(Cl)c2Cl)c2nccn12.Nc1cc(Sc2cnc(Cl)n3ccnc23)c(Cl)c(Cl)n1.
What is the InChIKey of 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)?
The InChIKey is KNYYOYWHRYJALE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9Cl2N3S.C12H9Cl2N5S.C11H6Cl3N5S/c2*1-8-17-7-11(13-16-5-6-18(8)13)19-10-4-2-3-9(14)12(10)15;1-6-17-5-8(12-16-2-3-19(6)12)20-7-4-9(15)18-11(14)10(7)13;12-8-5(3-7(15)18-9(8)13)20-6-4-17-11(14)19-2-1-16-10(6)19/h2*2-7H,1H3;2-5H,1H3,(H2,15,18);1-4H,(H2,15,18).
What are the key properties of 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine)?
5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine) has a molecular weight of 1293.26 g/mol, XLogP of 16.28, 8 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-4-(5-chloroimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;5,6-dichloro-4-(5-methylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine;bis(8-(2,3-dichlorophenyl)sulfanyl-5-methylimidazo[1,2-c]pyrimidine) is sourced from PubChem (CID 159190061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).