N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride

C17H26ClN5OS — CID 47052244

IUPACN,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNCc1cnc(N2CCOCC2)nc1)c1cccs1.Cl
InChIInChI=1S/C17H25N5OS.ClH/c1-21(2)15(16-4-3-9-24-16)13-18-10-14-11-19-17(20-12-14)22-5-7-23-8-6-22;/h3-4,9,11-12,15,18H,5-8,10,13H2,1-2H3;1H
InChIKeyPRAZCSRFDJIIMH-UHFFFAOYSA-N
MW383.95 g/mol
LogP2.19
Rot. Bonds7

About N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride

N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride (PubChem CID 47052244) has the molecular formula C17H26ClN5OS and a molecular weight of 383.95 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride
PubChem CID47052244
Molecular FormulaC17H26ClN5OS
Molecular Weight383.95 g/mol
Exact Mass383.15
IUPAC NameN,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNCc1cnc(N2CCOCC2)nc1)c1cccs1.Cl
InChIInChI=1S/C17H25N5OS.ClH/c1-21(2)15(16-4-3-9-24-16)13-18-10-14-11-19-17(20-12-14)22-5-7-23-8-6-22;/h3-4,9,11-12,15,18H,5-8,10,13H2,1-2H3;1H
InChIKeyPRAZCSRFDJIIMH-UHFFFAOYSA-N
XLogP2.19
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride?
The IUPAC name of N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride (CID 47052244) is N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride is CN(C)C(CNCc1cnc(N2CCOCC2)nc1)c1cccs1.Cl.
What is the InChIKey of N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride?
The InChIKey is PRAZCSRFDJIIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS.ClH/c1-21(2)15(16-4-3-9-24-16)13-18-10-14-11-19-17(20-12-14)22-5-7-23-8-6-22;/h3-4,9,11-12,15,18H,5-8,10,13H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride?
N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 47052244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).