8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one

C32H41N9O — CID 71111577

IUPAC8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one
SMILESCN1CCN(CCNc2nc(-c3ccccc3)nc3c2nc(-c2ccccc2)c(=O)n3CCN2CCN(C)CC2)CC1
InChIInChI=1S/C32H41N9O/c1-37-15-19-39(20-16-37)14-13-33-30-28-31(36-29(35-30)26-11-7-4-8-12-26)41(24-23-40-21-17-38(2)18-22-40)32(42)27(34-28)25-9-5-3-6-10-25/h3-12H,13-24H2,1-2H3,(H,33,35,36)
InChIKeyBDUVFMBQNZWZEI-UHFFFAOYSA-N
MW567.74 g/mol
LogP2.43
Rot. Bonds9

About 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one

8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one (PubChem CID 71111577) has the molecular formula C32H41N9O and a molecular weight of 567.74 g/mol. Its IUPAC name is 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one.

Molecular Properties

Compound Name8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one
PubChem CID71111577
Molecular FormulaC32H41N9O
Molecular Weight567.74 g/mol
Exact Mass567.34
IUPAC Name8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one
SMILESCN1CCN(CCNc2nc(-c3ccccc3)nc3c2nc(-c2ccccc2)c(=O)n3CCN2CCN(C)CC2)CC1
InChIInChI=1S/C32H41N9O/c1-37-15-19-39(20-16-37)14-13-33-30-28-31(36-29(35-30)26-11-7-4-8-12-26)41(24-23-40-21-17-38(2)18-22-40)32(42)27(34-28)25-9-5-3-6-10-25/h3-12H,13-24H2,1-2H3,(H,33,35,36)
InChIKeyBDUVFMBQNZWZEI-UHFFFAOYSA-N
XLogP2.43
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one?
The IUPAC name of 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one (CID 71111577) is 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one.
What is the SMILES notation for 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one?
The canonical SMILES for 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one is CN1CCN(CCNc2nc(-c3ccccc3)nc3c2nc(-c2ccccc2)c(=O)n3CCN2CCN(C)CC2)CC1.
What is the InChIKey of 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one?
The InChIKey is BDUVFMBQNZWZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N9O/c1-37-15-19-39(20-16-37)14-13-33-30-28-31(36-29(35-30)26-11-7-4-8-12-26)41(24-23-40-21-17-38(2)18-22-40)32(42)27(34-28)25-9-5-3-6-10-25/h3-12H,13-24H2,1-2H3,(H,33,35,36).
What are the key properties of 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one?
8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one has a molecular weight of 567.74 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one is sourced from PubChem (CID 71111577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).