4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane

C140H164Cl4N34O6 — CID 159370840

About 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane

4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane (PubChem CID 159370840) has the molecular formula C140H164Cl4N34O6 and a molecular weight of 2560.90 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane.

Molecular Properties

• Compound Name: 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane
• PubChem CID: 159370840
• Molecular Formula: C140H164Cl4N34O6
• Molecular Weight: 2560.90 g/mol
• Exact Mass: 2557.23
• IUPAC Name: 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane
• SMILES: C.C.C.C.C.Cc1cc(Nc2nc(Nc3ccc(-n4cccn4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(On4cccn4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc2c1OCO2.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2c1OCO2
• InChI: InChI=1S/C24H27N5O3.C23H27ClN6.C23H26ClN5.C23H26N6O2.C21H19ClN6O.C21H19ClN6.5CH4/c1-17-15-25-24(28-23(17)27-20-5-4-6-21-22(20)32-16-31-21)26-18-7-9-19(10-8-18)30-14-13-29-11-2-3-12-29;1-16-14-19(6-9-21(16)24)26-22-17(2)15-25-23(28-22)27-18-4-7-20(8-5-18)30-12-10-29(3)11-13-30;1-16-14-19(8-11-21(16)24)26-22-17(2)15-25-23(28-22)27-18-6-9-20(10-7-18)29-12-4-3-5-13-29;1-16-14-24-23(27-22(16)26-19-4-3-5-20-21(19)31-15-30-20)25-17-6-8-18(9-7-17)29-12-10-28(2)11-13-29;1-14-12-17(6-9-19(14)22)25-20-15(2)13-23-21(27-20)26-16-4-7-18(8-5-16)29-28-11-3-10-24-28;1-14-12-17(6-9-19(14)22)25-20-15(2)13-23-21(27-20)26-16-4-7-18(8-5-16)28-11-3-10-24-28;;;;;/h4-10,15H,2-3,11-14,16H2,1H3,(H2,25,26,27,28);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28);6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,27,28);3-9,14H,10-13,15H2,1-2H3,(H2,24,25,26,27);3-13H,1-2H3,(H2,23,25,26,27);3-13H,1-2H3,(H2,23,25,26,27);5*1H4
• InChIKey: LJSLLZROPUOHIX-UHFFFAOYSA-N
• XLogP: 33.31
• TPSA: 409.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2560.90
LogP ≤ 5	33.31
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane?

The IUPAC name of 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane (CID 159370840) is 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane.

What is the SMILES notation for 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane?

The canonical SMILES for 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane is C.C.C.C.C.Cc1cc(Nc2nc(Nc3ccc(-n4cccn4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)ccc1Cl.Cc1cc(Nc2nc(Nc3ccc(On4cccn4)cc3)ncc2C)ccc1Cl.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc2c1OCO2.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2c1OCO2.

What is the InChIKey of 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane?

The InChIKey is LJSLLZROPUOHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3.C23H27ClN6.C23H26ClN5.C23H26N6O2.C21H19ClN6O.C21H19ClN6.5CH4/c1-17-15-25-24(28-23(17)27-20-5-4-6-21-22(20)32-16-31-21)26-18-7-9-19(10-8-18)30-14-13-29-11-2-3-12-29;1-16-14-19(6-9-21(16)24)26-22-17(2)15-25-23(28-22)27-18-4-7-20(8-5-18)30-12-10-29(3)11-13-30;1-16-14-19(8-11-21(16)24)26-22-17(2)15-25-23(28-22)27-18-6-9-20(10-7-18)29-12-4-3-5-13-29;1-16-14-24-23(27-22(16)26-19-4-3-5-20-21(19)31-15-30-20)25-17-6-8-18(9-7-17)29-12-10-28(2)11-13-29;1-14-12-17(6-9-19(14)22)25-20-15(2)13-23-21(27-20)26-16-4-7-18(8-5-16)29-28-11-3-10-24-28;1-14-12-17(6-9-19(14)22)25-20-15(2)13-23-21(27-20)26-16-4-7-18(8-5-16)28-11-3-10-24-28;;;;;/h4-10,15H,2-3,11-14,16H2,1H3,(H2,25,26,27,28);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28);6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,27,28);3-9,14H,10-13,15H2,1-2H3,(H2,24,25,26,27);3-13H,1-2H3,(H2,23,25,26,27);3-13H,1-2H3,(H2,23,25,26,27);5*1H4.

What are the key properties of 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane?

4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane has a molecular weight of 2560.90 g/mol, XLogP of 33.31, 34 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-(4-pyrazol-1-ylphenyl)pyrimidine-2,4-diamine;methane is sourced from PubChem (CID 159370840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).