[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol

C15H27N5O — CID 72863071

IUPAC[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol
SMILESCN(C)CCN(C)C[C@@H]1CN(c2cnccn2)C[C@@H]1CO
InChIInChI=1S/C15H27N5O/c1-18(2)6-7-19(3)9-13-10-20(11-14(13)12-21)15-8-16-4-5-17-15/h4-5,8,13-14,21H,6-7,9-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyPWJRGVWTAXGCHL-ZIAGYGMSSA-N
MW293.41 g/mol
LogP0.01
Rot. Bonds7

About [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol

[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol (PubChem CID 72863071) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol
PubChem CID72863071
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol
SMILESCN(C)CCN(C)C[C@@H]1CN(c2cnccn2)C[C@@H]1CO
InChIInChI=1S/C15H27N5O/c1-18(2)6-7-19(3)9-13-10-20(11-14(13)12-21)15-8-16-4-5-17-15/h4-5,8,13-14,21H,6-7,9-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyPWJRGVWTAXGCHL-ZIAGYGMSSA-N
XLogP0.01
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol (CID 72863071) is [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol is CN(C)CCN(C)C[C@@H]1CN(c2cnccn2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is PWJRGVWTAXGCHL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H27N5O/c1-18(2)6-7-19(3)9-13-10-20(11-14(13)12-21)15-8-16-4-5-17-15/h4-5,8,13-14,21H,6-7,9-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 72863071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).