8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one

C24H24N6O2 — CID 3234927

IUPAC8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N4CCNCC4)nc32)c1
InChIInChI=1S/C24H24N6O2/c1-32-19-9-5-6-17(14-19)16-30-22-20(15-26-24(28-22)29-12-10-25-11-13-29)27-21(23(30)31)18-7-3-2-4-8-18/h2-9,14-15,25H,10-13,16H2,1H3
InChIKeyWHYFQDIXMXWQAD-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.32
Rot. Bonds5

About 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one

8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3234927) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3234927
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N4CCNCC4)nc32)c1
InChIInChI=1S/C24H24N6O2/c1-32-19-9-5-6-17(14-19)16-30-22-20(15-26-24(28-22)29-12-10-25-11-13-29)27-21(23(30)31)18-7-3-2-4-8-18/h2-9,14-15,25H,10-13,16H2,1H3
InChIKeyWHYFQDIXMXWQAD-UHFFFAOYSA-N
XLogP2.32
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one (CID 3234927) is 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one is COc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N4CCNCC4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is WHYFQDIXMXWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-19-9-5-6-17(14-19)16-30-22-20(15-26-24(28-22)29-12-10-25-11-13-29)27-21(23(30)31)18-7-3-2-4-8-18/h2-9,14-15,25H,10-13,16H2,1H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one?
8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 428.50 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-6-phenyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3234927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).