1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol

C18H24N4O — CID 91648261

IUPAC1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol
SMILESCc1cnc(C)c(NCC2CC(O)CN2Cc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-13-9-19-14(2)18(21-13)20-10-16-8-17(23)12-22(16)11-15-6-4-3-5-7-15/h3-7,9,16-17,23H,8,10-12H2,1-2H3,(H,20,21)
InChIKeyDHOAHUWXOUVFKW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.14
Rot. Bonds5

About 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol

1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol (PubChem CID 91648261) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol
PubChem CID91648261
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol
SMILESCc1cnc(C)c(NCC2CC(O)CN2Cc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-13-9-19-14(2)18(21-13)20-10-16-8-17(23)12-22(16)11-15-6-4-3-5-7-15/h3-7,9,16-17,23H,8,10-12H2,1-2H3,(H,20,21)
InChIKeyDHOAHUWXOUVFKW-UHFFFAOYSA-N
XLogP2.14
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol (CID 91648261) is 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol is Cc1cnc(C)c(NCC2CC(O)CN2Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is DHOAHUWXOUVFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-9-19-14(2)18(21-13)20-10-16-8-17(23)12-22(16)11-15-6-4-3-5-7-15/h3-7,9,16-17,23H,8,10-12H2,1-2H3,(H,20,21).
What are the key properties of 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol?
1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 312.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 91648261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).