5-methyl-4-piperazin-1-yl-6H-pteridine

C11H16N6 — CID 176729393

IUPAC5-methyl-4-piperazin-1-yl-6H-pteridine
SMILESCN1CC=Nc2ncnc(N3CCNCC3)c21
InChIInChI=1S/C11H16N6/c1-16-5-4-13-10-9(16)11(15-8-14-10)17-6-2-12-3-7-17/h4,8,12H,2-3,5-7H2,1H3
InChIKeyKEGXPTYSFJLZCP-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.04
Rot. Bonds1

About 5-methyl-4-piperazin-1-yl-6H-pteridine

5-methyl-4-piperazin-1-yl-6H-pteridine (PubChem CID 176729393) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-methyl-4-piperazin-1-yl-6H-pteridine.

Molecular Properties

Compound Name5-methyl-4-piperazin-1-yl-6H-pteridine
PubChem CID176729393
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-methyl-4-piperazin-1-yl-6H-pteridine
SMILESCN1CC=Nc2ncnc(N3CCNCC3)c21
InChIInChI=1S/C11H16N6/c1-16-5-4-13-10-9(16)11(15-8-14-10)17-6-2-12-3-7-17/h4,8,12H,2-3,5-7H2,1H3
InChIKeyKEGXPTYSFJLZCP-UHFFFAOYSA-N
XLogP0.04
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperazin-1-yl-6H-pteridine?
The IUPAC name of 5-methyl-4-piperazin-1-yl-6H-pteridine (CID 176729393) is 5-methyl-4-piperazin-1-yl-6H-pteridine.
What is the SMILES notation for 5-methyl-4-piperazin-1-yl-6H-pteridine?
The canonical SMILES for 5-methyl-4-piperazin-1-yl-6H-pteridine is CN1CC=Nc2ncnc(N3CCNCC3)c21.
What is the InChIKey of 5-methyl-4-piperazin-1-yl-6H-pteridine?
The InChIKey is KEGXPTYSFJLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-16-5-4-13-10-9(16)11(15-8-14-10)17-6-2-12-3-7-17/h4,8,12H,2-3,5-7H2,1H3.
What are the key properties of 5-methyl-4-piperazin-1-yl-6H-pteridine?
5-methyl-4-piperazin-1-yl-6H-pteridine has a molecular weight of 232.29 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperazin-1-yl-6H-pteridine is sourced from PubChem (CID 176729393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).