6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

C13H18N6O — CID 3232710

IUPAC6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(C)c1=O
InChIInChI=1S/C13H18N6O/c1-9-12(20)18(3)11-10(15-9)8-14-13(16-11)19-6-4-17(2)5-7-19/h8H,4-7H2,1-3H3
InChIKeySKDFBHSIJNHDMR-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.22
Rot. Bonds1

About 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3232710) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3232710
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(C)c1=O
InChIInChI=1S/C13H18N6O/c1-9-12(20)18(3)11-10(15-9)8-14-13(16-11)19-6-4-17(2)5-7-19/h8H,4-7H2,1-3H3
InChIKeySKDFBHSIJNHDMR-UHFFFAOYSA-N
XLogP-0.22
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3232710) is 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is Cc1nc2cnc(N3CCN(C)CC3)nc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is SKDFBHSIJNHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-12(20)18(3)11-10(15-9)8-14-13(16-11)19-6-4-17(2)5-7-19/h8H,4-7H2,1-3H3.
What are the key properties of 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 274.33 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3232710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).