6,8-dimethyl-2-piperazin-1-ylpteridin-7-one

C12H16N6O — CID 3233003

IUPAC6,8-dimethyl-2-piperazin-1-ylpteridin-7-one
SMILESCc1nc2cnc(N3CCNCC3)nc2n(C)c1=O
InChIInChI=1S/C12H16N6O/c1-8-11(19)17(2)10-9(15-8)7-14-12(16-10)18-5-3-13-4-6-18/h7,13H,3-6H2,1-2H3
InChIKeyUNKNRYBUAQTJIA-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.56
Rot. Bonds1

About 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one

6,8-dimethyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3233003) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name6,8-dimethyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3233003
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6,8-dimethyl-2-piperazin-1-ylpteridin-7-one
SMILESCc1nc2cnc(N3CCNCC3)nc2n(C)c1=O
InChIInChI=1S/C12H16N6O/c1-8-11(19)17(2)10-9(15-8)7-14-12(16-10)18-5-3-13-4-6-18/h7,13H,3-6H2,1-2H3
InChIKeyUNKNRYBUAQTJIA-UHFFFAOYSA-N
XLogP-0.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one (CID 3233003) is 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one is Cc1nc2cnc(N3CCNCC3)nc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is UNKNRYBUAQTJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8-11(19)17(2)10-9(15-8)7-14-12(16-10)18-5-3-13-4-6-18/h7,13H,3-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one?
6,8-dimethyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 260.30 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3233003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).