disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate

C64H71Cl5N18Na2O5 — CID 159231620

About disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate

disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate (PubChem CID 159231620) has the molecular formula C64H71Cl5N18Na2O5 and a molecular weight of 1395.64 g/mol. Its IUPAC name is disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate.

Molecular Properties

• Compound Name: disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate
• PubChem CID: 159231620
• Molecular Formula: C64H71Cl5N18Na2O5
• Molecular Weight: 1395.64 g/mol
• Exact Mass: 1392.41
• IUPAC Name: disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate
• SMILES: Cc1ccc(N)cc1CC#N.Cc1ccc(Nc2ccnc(Cl)n2)cc1CC#N.Cc1ccc(Nc2ccnc(Nc3ccc(N4CCN(CCO)CC4)c(Cl)c3)n2)cc1CC#N.Clc1ccnc(Cl)n1.Nc1ccc(N2CCN(CCO)CC2)c(Cl)c1.O=CO[O-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C25H28ClN7O.C13H11ClN4.C12H18ClN3O.C9H10N2.C4H2Cl2N2.CH2O3.2Na.H/c1-18-2-3-20(16-19(18)6-8-27)29-24-7-9-28-25(31-24)30-21-4-5-23(22(26)17-21)33-12-10-32(11-13-33)14-15-34;1-9-2-3-11(8-10(9)4-6-15)17-12-5-7-16-13(14)18-12;13-11-9-10(14)1-2-12(11)16-5-3-15(4-6-16)7-8-17;1-7-2-3-9(11)6-8(7)4-5-10;5-3-1-2-7-4(6)8-3;2-1-4-3;;;/h2-5,7,9,16-17,34H,6,10-15H2,1H3,(H2,28,29,30,31);2-3,5,7-8H,4H2,1H3,(H,16,17,18);1-2,9,17H,3-8,14H2;2-3,6H,4,11H2,1H3;1-2H;1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: PIWUAWHMNQYMOA-UHFFFAOYSA-M
• XLogP: 4.37
• TPSA: 339.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.64
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate?

The IUPAC name of disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate (CID 159231620) is disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate.

What is the SMILES notation for disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate?

The canonical SMILES for disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate is Cc1ccc(N)cc1CC#N.Cc1ccc(Nc2ccnc(Cl)n2)cc1CC#N.Cc1ccc(Nc2ccnc(Nc3ccc(N4CCN(CCO)CC4)c(Cl)c3)n2)cc1CC#N.Clc1ccnc(Cl)n1.Nc1ccc(N2CCN(CCO)CC2)c(Cl)c1.O=CO[O-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate?

The InChIKey is PIWUAWHMNQYMOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H28ClN7O.C13H11ClN4.C12H18ClN3O.C9H10N2.C4H2Cl2N2.CH2O3.2Na.H/c1-18-2-3-20(16-19(18)6-8-27)29-24-7-9-28-25(31-24)30-21-4-5-23(22(26)17-21)33-12-10-32(11-13-33)14-15-34;1-9-2-3-11(8-10(9)4-6-15)17-12-5-7-16-13(14)18-12;13-11-9-10(14)1-2-12(11)16-5-3-15(4-6-16)7-8-17;1-7-2-3-9(11)6-8(7)4-5-10;5-3-1-2-7-4(6)8-3;2-1-4-3;;;/h2-5,7,9,16-17,34H,6,10-15H2,1H3,(H2,28,29,30,31);2-3,5,7-8H,4H2,1H3,(H,16,17,18);1-2,9,17H,3-8,14H2;2-3,6H,4,11H2,1H3;1-2H;1,3H;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate?

disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate has a molecular weight of 1395.64 g/mol, XLogP of 4.37, 16 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate is sourced from PubChem (CID 159231620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).