8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one

C18H20N6O — CID 3234627

IUPAC8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
SMILESCN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C18H20N6O/c1-22-8-10-24(11-9-22)18-19-12-14-16(21-18)23(2)17(25)15(20-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyTYBHNCJRXMFODS-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.14
Rot. Bonds2

About 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one

8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one (PubChem CID 3234627) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one.

Molecular Properties

Compound Name8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
PubChem CID3234627
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
SMILESCN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C18H20N6O/c1-22-8-10-24(11-9-22)18-19-12-14-16(21-18)23(2)17(25)15(20-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyTYBHNCJRXMFODS-UHFFFAOYSA-N
XLogP1.14
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232710
6-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233264
8-cyclopropyl-2-morpholin-4-yl-6-phenylpteridin-7-one
CID 3234043
4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol
CID 53385801
6,8-dimethyl-2-morpholin-4-ylpteridin-7-one
CID 3234245
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
3-[2-(4-methylpiperazin-1-yl)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile
CID 3232700
6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232712
7-(4-methylpiperazin-1-yl)-2,3-diphenylpyrido[2,3-b]pyrazine
CID 11153246
6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3234928
8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpteridin-7-one
CID 3235318
8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3235243

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The IUPAC name of 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one (CID 3234627) is 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one.
What is the SMILES notation for 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The canonical SMILES for 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one is CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(C)c3n2)CC1.
What is the InChIKey of 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The InChIKey is TYBHNCJRXMFODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22-8-10-24(11-9-22)18-19-12-14-16(21-18)23(2)17(25)15(20-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one has a molecular weight of 336.40 g/mol, XLogP of 1.14, 2 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)-6-phenylpteridin-7-one is sourced from PubChem (CID 3234627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).