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

C17H18N6O — CID 3235133

IUPAC2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one
SMILESCN1CCN(c2ncc3ncc(=O)n(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C17H18N6O/c1-21-7-9-22(10-8-21)17-19-11-14-16(20-17)23(15(24)12-18-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyYSRJEAPZJPLNMJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.93
Rot. Bonds2

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

2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one (PubChem CID 3235133) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one
PubChem CID3235133
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one
SMILESCN1CCN(c2ncc3ncc(=O)n(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C17H18N6O/c1-21-7-9-22(10-8-21)17-19-11-14-16(20-17)23(15(24)12-18-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyYSRJEAPZJPLNMJ-UHFFFAOYSA-N
XLogP0.93
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one (CID 3235133) is 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one is CN1CCN(c2ncc3ncc(=O)n(-c4ccccc4)c3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one?
The InChIKey is YSRJEAPZJPLNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-21-7-9-22(10-8-21)17-19-11-14-16(20-17)23(15(24)12-18-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one?
2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one has a molecular weight of 322.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one is sourced from PubChem (CID 3235133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).