1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine

C19H21Cl2N5S — CID 158134532

IUPAC1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine
SMILESCNC1CCCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C19H21Cl2N5S/c1-22-13-4-3-9-25(10-7-13)19-24-12-16(18-23-8-11-26(18)19)27-15-6-2-5-14(20)17(15)21/h2,5-6,8,11-13,22H,3-4,7,9-10H2,1H3
InChIKeyPBESNJGAPQHUAR-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.77
Rot. Bonds4

About 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine

1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine (PubChem CID 158134532) has the molecular formula C19H21Cl2N5S and a molecular weight of 422.39 g/mol. Its IUPAC name is 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine.

Molecular Properties

Compound Name1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine
PubChem CID158134532
Molecular FormulaC19H21Cl2N5S
Molecular Weight422.39 g/mol
Exact Mass421.09
IUPAC Name1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine
SMILESCNC1CCCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C19H21Cl2N5S/c1-22-13-4-3-9-25(10-7-13)19-24-12-16(18-23-8-11-26(18)19)27-15-6-2-5-14(20)17(15)21/h2,5-6,8,11-13,22H,3-4,7,9-10H2,1H3
InChIKeyPBESNJGAPQHUAR-UHFFFAOYSA-N
XLogP4.77
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158134535
[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155408714
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
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427572
(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427633
8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-[2-methyl-2-[(S)-methylsulfinyl]propyl]-8-azaspiro[4.5]decane
CID 139427855
N-[3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]formamide
CID 155420753
8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(3-methylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-piperidin-1-ylimidazo[1,2-c]pyrimidine
CID 158012807
8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427338
8-[8-[(2-chloro-3-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427411
(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

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine?
The IUPAC name of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine (CID 158134532) is 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine.
What is the SMILES notation for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine?
The canonical SMILES for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine is CNC1CCCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1.
What is the InChIKey of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine?
The InChIKey is PBESNJGAPQHUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5S/c1-22-13-4-3-9-25(10-7-13)19-24-12-16(18-23-8-11-26(18)19)27-15-6-2-5-14(20)17(15)21/h2,5-6,8,11-13,22H,3-4,7,9-10H2,1H3.
What are the key properties of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine?
1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methylazepan-4-amine has a molecular weight of 422.39 g/mol, XLogP of 4.77, 4 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]-N-methylazepan-4-amine is sourced from PubChem (CID 158134532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).