6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine

C13H18N6 — CID 58303236

IUPAC6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
SMILESCc1ncc(-c2cncc(N[C@@H]3CCNC3)n2)n1C
InChIInChI=1S/C13H18N6/c1-9-16-7-12(19(9)2)11-6-15-8-13(18-11)17-10-3-4-14-5-10/h6-8,10,14H,3-5H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyULALXSYEVLCTAE-SNVBAGLBSA-N
MW258.33 g/mol
LogP0.96
Rot. Bonds3

About 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine

6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 58303236) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
PubChem CID58303236
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
SMILESCc1ncc(-c2cncc(N[C@@H]3CCNC3)n2)n1C
InChIInChI=1S/C13H18N6/c1-9-16-7-12(19(9)2)11-6-15-8-13(18-11)17-10-3-4-14-5-10/h6-8,10,14H,3-5H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyULALXSYEVLCTAE-SNVBAGLBSA-N
XLogP0.96
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine (CID 58303236) is 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine is Cc1ncc(-c2cncc(N[C@@H]3CCNC3)n2)n1C.
What is the InChIKey of 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is ULALXSYEVLCTAE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-16-7-12(19(9)2)11-6-15-8-13(18-11)17-10-3-4-14-5-10/h6-8,10,14H,3-5H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylimidazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 58303236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).