[3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

C18H18N6O — CID 135300285

IUPAC[3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESNc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C18H18N6O/c19-18-21-9-13(10-22-18)16-11-20-14-5-4-12(8-15(14)23-16)17(25)24-6-2-1-3-7-24/h4-5,8-11H,1-3,6-7H2,(H2,19,21,22)
InChIKeyHRILHAMYTBQGSE-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.30
Rot. Bonds2

About [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300285) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300285
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name[3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESNc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C18H18N6O/c19-18-21-9-13(10-22-18)16-11-20-14-5-4-12(8-15(14)23-16)17(25)24-6-2-1-3-7-24/h4-5,8-11H,1-3,6-7H2,(H2,19,21,22)
InChIKeyHRILHAMYTBQGSE-UHFFFAOYSA-N
XLogP2.30
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300285) is [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is Nc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1.
What is the InChIKey of [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is HRILHAMYTBQGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c19-18-21-9-13(10-22-18)16-11-20-14-5-4-12(8-15(14)23-16)17(25)24-6-2-1-3-7-24/h4-5,8-11H,1-3,6-7H2,(H2,19,21,22).
What are the key properties of [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).