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

C18H19Cl2N5S — CID 139427531

IUPAC1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C18H19Cl2N5S/c1-18(21)5-8-24(9-6-18)17-23-11-14(16-22-7-10-25(16)17)26-13-4-2-3-12(19)15(13)20/h2-4,7,10-11H,5-6,8-9,21H2,1H3
InChIKeyOCZYCFBOZJSINB-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.50
Rot. Bonds3

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

1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine (PubChem CID 139427531) has the molecular formula C18H19Cl2N5S and a molecular weight of 408.36 g/mol. Its IUPAC name is 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
PubChem CID139427531
Molecular FormulaC18H19Cl2N5S
Molecular Weight408.36 g/mol
Exact Mass407.07
IUPAC Name1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C18H19Cl2N5S/c1-18(21)5-8-24(9-6-18)17-23-11-14(16-22-7-10-25(16)17)26-13-4-2-3-12(19)15(13)20/h2-4,7,10-11H,5-6,8-9,21H2,1H3
InChIKeyOCZYCFBOZJSINB-UHFFFAOYSA-N
XLogP4.50
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine 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
1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796689
1-[3-(2,3-dichlorophenyl)sulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134473731
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 61
CID 139427431
(1-(8-((2,3-Dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-4-methylpiperidin-4-yl)methanamine
CID 139427446
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
(R)-8-(8-((2,3-dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-1-oxa-8-azaspiro[4.5]decan-4-amine
CID 139427506

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine (CID 139427531) is 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine is CC1(N)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-methylpiperidin-4-amine?
The InChIKey is OCZYCFBOZJSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5S/c1-18(21)5-8-24(9-6-18)17-23-11-14(16-22-7-10-25(16)17)26-13-4-2-3-12(19)15(13)20/h2-4,7,10-11H,5-6,8-9,21H2,1H3.
What are the key properties of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine has a molecular weight of 408.36 g/mol, XLogP of 4.50, 3 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-methylpiperidin-4-amine is sourced from PubChem (CID 139427531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).