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

C18H19Cl2N5S — CID 139427294

IUPAC[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C18H19Cl2N5S/c19-13-2-1-3-14(16(13)20)26-15-11-23-18(25-9-6-22-17(15)25)24-7-4-12(10-21)5-8-24/h1-3,6,9,11-12H,4-5,7-8,10,21H2
InChIKeyPESJVLGLPNKNTO-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.36
Rot. Bonds4

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

[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine (PubChem CID 139427294) 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]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine
PubChem CID139427294
Molecular FormulaC18H19Cl2N5S
Molecular Weight408.36 g/mol
Exact Mass407.07
IUPAC Name[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C18H19Cl2N5S/c19-13-2-1-3-14(16(13)20)26-15-11-23-18(25-9-6-22-17(15)25)24-7-4-12(10-21)5-8-24/h1-3,6,9,11-12H,4-5,7-8,10,21H2
InChIKeyPESJVLGLPNKNTO-UHFFFAOYSA-N
XLogP4.36
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine (CID 139427294) is [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine is NCC1CCN(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-yl]methanamine?
The InChIKey is PESJVLGLPNKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5S/c19-13-2-1-3-14(16(13)20)26-15-11-23-18(25-9-6-22-17(15)25)24-7-4-12(10-21)5-8-24/h1-3,6,9,11-12H,4-5,7-8,10,21H2.
What are the key properties of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine?
[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]piperidin-4-yl]methanamine has a molecular weight of 408.36 g/mol, XLogP of 4.36, 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]piperidin-4-yl]methanamine is sourced from PubChem (CID 139427294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).