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

C17H17Cl2N5S — CID 139427307

IUPAC1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine
SMILESNC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C17H17Cl2N5S/c18-12-2-1-3-13(15(12)19)25-14-10-22-17(24-9-6-21-16(14)24)23-7-4-11(20)5-8-23/h1-3,6,9-11H,4-5,7-8,20H2
InChIKeyUWCKUFXFQZOLGJ-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.11
Rot. Bonds3

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

1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine (PubChem CID 139427307) has the molecular formula C17H17Cl2N5S and a molecular weight of 394.33 g/mol. Its IUPAC name is 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine
PubChem CID139427307
Molecular FormulaC17H17Cl2N5S
Molecular Weight394.33 g/mol
Exact Mass393.06
IUPAC Name1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine
SMILESNC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C17H17Cl2N5S/c18-12-2-1-3-13(15(12)19)25-14-10-22-17(24-9-6-21-16(14)24)23-7-4-11(20)5-8-23/h1-3,6,9-11H,4-5,7-8,20H2
InChIKeyUWCKUFXFQZOLGJ-UHFFFAOYSA-N
XLogP4.11
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.11
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
US11179397, Example 119
CID 139427294
7-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-7-azaspiro[3.5]nonan-2-amine
CID 139427308
(R)-1-(8-((2,3-dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)azepan-4-amine
CID 139427349
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
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
(1-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)pyrrolidin-3-yl)methanamine
CID 139427525

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine?
The IUPAC name of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine (CID 139427307) is 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine.
What is the SMILES notation for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine?
The canonical SMILES for 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine is NC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1.
What is the InChIKey of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine?
The InChIKey is UWCKUFXFQZOLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5S/c18-12-2-1-3-13(15(12)19)25-14-10-22-17(24-9-6-21-16(14)24)23-7-4-11(20)5-8-23/h1-3,6,9-11H,4-5,7-8,20H2.
What are the key properties of 1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine?
1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine has a molecular weight of 394.33 g/mol, XLogP of 4.11, 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]piperidin-4-amine is sourced from PubChem (CID 139427307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).