8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

C12H16N6O — CID 3232646

IUPAC8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCN1CCN(c2ncc3ncc(=O)n(C)c3n2)CC1
InChIInChI=1S/C12H16N6O/c1-16-3-5-18(6-4-16)12-14-7-9-11(15-12)17(2)10(19)8-13-9/h7-8H,3-6H2,1-2H3
InChIKeyWDXDUXXCVWPLGE-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.52
Rot. Bonds1

About 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3232646) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3232646
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCN1CCN(c2ncc3ncc(=O)n(C)c3n2)CC1
InChIInChI=1S/C12H16N6O/c1-16-3-5-18(6-4-16)12-14-7-9-11(15-12)17(2)10(19)8-13-9/h7-8H,3-6H2,1-2H3
InChIKeyWDXDUXXCVWPLGE-UHFFFAOYSA-N
XLogP-0.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Methylpiperazin-1-yl)pyrimidine-2,5-diamine
CID 25130909
5,8-Dihydropteridine-6,7-dione
CID 10820906
(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-7,8-Dihydropteridin-6(5h)-One
CID 71739407
2-Methoxy-8-methylpteridin-7-one
CID 3232856
6,8-Dimethyl-2-piperazin-1-ylpteridin-7-one
CID 3233003
3-(2-Methoxy-6-methyl-7-oxopteridin-8-yl)propanenitrile
CID 3233319
8-Cyclopropyl-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3233384
8-Cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one
CID 3233431
2-(Ethylamino)-8-methylpteridin-7-one
CID 3233773
8-Cyclopropyl-2-methoxypteridin-7-one
CID 3233786
8-Cyclopropyl-2-methoxy-6-methylpteridin-7-one
CID 3234207
8-(2-Methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3234388

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3232646) is 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is CN1CCN(c2ncc3ncc(=O)n(C)c3n2)CC1.
What is the InChIKey of 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is WDXDUXXCVWPLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-16-3-5-18(6-4-16)12-14-7-9-11(15-12)17(2)10(19)8-13-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 260.30 g/mol, XLogP of -0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3232646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).