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

C18H19Cl2N5S — CID 139427533

IUPAC(4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine
SMILESN[C@@H]1CCCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C18H19Cl2N5S/c19-13-4-1-5-14(16(13)20)26-15-11-23-18(25-10-7-22-17(15)25)24-8-2-3-12(21)6-9-24/h1,4-5,7,10-12H,2-3,6,8-9,21H2/t12-/m1/s1
InChIKeyWXEIRVABDQTUST-GFCCVEGCSA-N
MW408.36 g/mol
LogP4.50
Rot. Bonds3

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

(4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine (PubChem CID 139427533) has the molecular formula C18H19Cl2N5S and a molecular weight of 408.36 g/mol. Its IUPAC name is (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine.

Molecular Properties

Compound Name(4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine
PubChem CID139427533
Molecular FormulaC18H19Cl2N5S
Molecular Weight408.36 g/mol
Exact Mass407.07
IUPAC Name(4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine
SMILESN[C@@H]1CCCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C18H19Cl2N5S/c19-13-4-1-5-14(16(13)20)26-15-11-23-18(25-10-7-22-17(15)25)24-8-2-3-12(21)6-9-24/h1,4-5,7,10-12H,2-3,6,8-9,21H2/t12-/m1/s1
InChIKeyWXEIRVABDQTUST-GFCCVEGCSA-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 (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(R)-1-(8-((2,3-dichlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)azepan-4-amine
CID 139427349
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
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine?
The IUPAC name of (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine (CID 139427533) is (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine.
What is the SMILES notation for (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine?
The canonical SMILES for (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine is N[C@@H]1CCCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1.
What is the InChIKey of (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine?
The InChIKey is WXEIRVABDQTUST-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19Cl2N5S/c19-13-4-1-5-14(16(13)20)26-15-11-23-18(25-10-7-22-17(15)25)24-8-2-3-12(21)6-9-24/h1,4-5,7,10-12H,2-3,6,8-9,21H2/t12-/m1/s1.
What are the key properties of (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine?
(4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-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 (4R)-1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]azepan-4-amine is sourced from PubChem (CID 139427533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).