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

C17H17Cl2N5S — CID 139427525

IUPAC[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)C1
InChIInChI=1S/C17H17Cl2N5S/c18-12-2-1-3-13(15(12)19)25-14-9-22-17(24-7-5-21-16(14)24)23-6-4-11(8-20)10-23/h1-3,5,7,9,11H,4,6,8,10,20H2
InChIKeyROAMIVNPSQYTSD-UHFFFAOYSA-N
MW394.33 g/mol
LogP3.97
Rot. Bonds4

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

[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine (PubChem CID 139427525) 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]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine
PubChem CID139427525
Molecular FormulaC17H17Cl2N5S
Molecular Weight394.33 g/mol
Exact Mass393.06
IUPAC Name[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)C1
InChIInChI=1S/C17H17Cl2N5S/c18-12-2-1-3-13(15(12)19)25-14-9-22-17(24-7-5-21-16(14)24)23-6-4-11(8-20)10-23/h1-3,5,7,9,11H,4,6,8,10,20H2
InChIKeyROAMIVNPSQYTSD-UHFFFAOYSA-N
XLogP3.97
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-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
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
(1-(8-((2,3-Dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)pyrrolidin-3-yl)methanamine
CID 139427439
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)-4-phenylpiperidin-4-yl)methanamine
CID 139427529
US11179397, Example 48
CID 139427531
(R)-1-(8-((2,3-dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)azepan-4-amine
CID 139427533

Frequently Asked Questions

What is the IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine (CID 139427525) is [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine is NCC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)C1.
What is the InChIKey of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is ROAMIVNPSQYTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5S/c18-12-2-1-3-13(15(12)19)25-14-9-22-17(24-7-5-21-16(14)24)23-6-4-11(8-20)10-23/h1-3,5,7,9,11H,4,6,8,10,20H2.
What are the key properties of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine?
[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 394.33 g/mol, XLogP of 3.97, 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]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 139427525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).