2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine

C13H19N5S — CID 56874529

IUPAC2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCCSc1ncc(-c2nccn2CCN(C)C)cn1
InChIInChI=1S/C13H19N5S/c1-4-19-13-15-9-11(10-16-13)12-14-5-6-18(12)8-7-17(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyPFVKLPQDCSSDHF-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.01
Rot. Bonds6

About 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine

2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 56874529) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID56874529
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCCSc1ncc(-c2nccn2CCN(C)C)cn1
InChIInChI=1S/C13H19N5S/c1-4-19-13-15-9-11(10-16-13)12-14-5-6-18(12)8-7-17(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyPFVKLPQDCSSDHF-UHFFFAOYSA-N
XLogP2.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine (CID 56874529) is 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine is CCSc1ncc(-c2nccn2CCN(C)C)cn1.
What is the InChIKey of 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is PFVKLPQDCSSDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-4-19-13-15-9-11(10-16-13)12-14-5-6-18(12)8-7-17(2)3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 277.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 56874529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).