6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine

C58H79ClN18O2 — CID 157354911

About 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine

6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine (PubChem CID 157354911) has the molecular formula C58H79ClN18O2 and a molecular weight of 1095.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine
• PubChem CID: 157354911
• Molecular Formula: C58H79ClN18O2
• Molecular Weight: 1095.85 g/mol
• Exact Mass: 1094.63
• IUPAC Name: 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine
• SMILES: CN1CCN(CCNc2nc(-c3ccccc3)nc(Cl)c2/N=N/c2ccccc2)CC1.CN1CCN(CCNc2nc(-c3ccccc3)nc(NCCN3CCOCC3)c2/N=N/c2ccccc2)CC1.NCCN1CCOCC1
• InChI: InChI=1S/C29H39N9O.C23H26ClN7.C6H14N2O/c1-36-16-18-37(19-17-36)14-12-30-28-26(35-34-25-10-6-3-7-11-25)29(31-13-15-38-20-22-39-23-21-38)33-27(32-28)24-8-4-2-5-9-24;1-30-14-16-31(17-15-30)13-12-25-23-20(29-28-19-10-6-3-7-11-19)21(24)26-22(27-23)18-8-4-2-5-9-18;7-1-2-8-3-5-9-6-4-8/h2-11H,12-23H2,1H3,(H2,30,31,32,33);2-11H,12-17H2,1H3,(H,25,26,27);1-7H2/b35-34+;29-28+
• InChIKey: BHYVHABNYYOIIB-IWRBAPOLSA-N
• XLogP: 8.11
• TPSA: 201.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1095.85
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine?

The IUPAC name of 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine (CID 157354911) is 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine.

What is the SMILES notation for 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine?

The canonical SMILES for 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine is CN1CCN(CCNc2nc(-c3ccccc3)nc(Cl)c2/N=N/c2ccccc2)CC1.CN1CCN(CCNc2nc(-c3ccccc3)nc(NCCN3CCOCC3)c2/N=N/c2ccccc2)CC1.NCCN1CCOCC1.

What is the InChIKey of 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine?

The InChIKey is BHYVHABNYYOIIB-IWRBAPOLSA-N. The full InChI is InChI=1S/C29H39N9O.C23H26ClN7.C6H14N2O/c1-36-16-18-37(19-17-36)14-12-30-28-26(35-34-25-10-6-3-7-11-25)29(31-13-15-38-20-22-39-23-21-38)33-27(32-28)24-8-4-2-5-9-24;1-30-14-16-31(17-15-30)13-12-25-23-20(29-28-19-10-6-3-7-11-19)21(24)26-22(27-23)18-8-4-2-5-9-18;7-1-2-8-3-5-9-6-4-8/h2-11H,12-23H2,1H3,(H2,30,31,32,33);2-11H,12-17H2,1H3,(H,25,26,27);1-7H2/b35-34+;29-28+;.

What are the key properties of 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine?

6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine has a molecular weight of 1095.85 g/mol, XLogP of 8.11, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-phenyldiazenylpyrimidin-4-amine;6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)-2-phenyl-5-phenyldiazenylpyrimidine-4,6-diamine;2-morpholin-4-ylethanamine is sourced from PubChem (CID 157354911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).