N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride

C8H19Cl2N3S — CID 23619328

IUPACN,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride
SMILESCN(C)CCSC1=NCCCN1.Cl.Cl
InChIInChI=1S/C8H17N3S.2ClH/c1-11(2)6-7-12-8-9-4-3-5-10-8;;/h3-7H2,1-2H3,(H,9,10);2*1H
InChIKeyFSNZHJRUKLERIQ-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.47
Rot. Bonds3

About N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride

N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride (PubChem CID 23619328) has the molecular formula C8H19Cl2N3S and a molecular weight of 260.23 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride
PubChem CID23619328
Molecular FormulaC8H19Cl2N3S
Molecular Weight260.23 g/mol
Exact Mass259.07
IUPAC NameN,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride
SMILESCN(C)CCSC1=NCCCN1.Cl.Cl
InChIInChI=1S/C8H17N3S.2ClH/c1-11(2)6-7-12-8-9-4-3-5-10-8;;/h3-7H2,1-2H3,(H,9,10);2*1H
InChIKeyFSNZHJRUKLERIQ-UHFFFAOYSA-N
XLogP1.47
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride?
The IUPAC name of N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride (CID 23619328) is N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride is CN(C)CCSC1=NCCCN1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride?
The InChIKey is FSNZHJRUKLERIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S.2ClH/c1-11(2)6-7-12-8-9-4-3-5-10-8;;/h3-7H2,1-2H3,(H,9,10);2*1H.
What are the key properties of N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride?
N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride has a molecular weight of 260.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride is sourced from PubChem (CID 23619328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).