4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine

C167H193FN40O11 — CID 164986795

About 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine

4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 164986795) has the molecular formula C167H193FN40O11 and a molecular weight of 2955.65 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
• PubChem CID: 164986795
• Molecular Formula: C167H193FN40O11
• Molecular Weight: 2955.65 g/mol
• Exact Mass: 2953.58
• IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
• SMILES: CCN(Cc1ccccc1)Cc1cc(Nc2cccc(OC)c2)nc(N)n1.CN(Cc1ccccc1)Cc1cc(Nc2ccc3c(c2)OCO3)nc(N)n1.COCCN(Cc1ccccc1)Cc1cc(Nc2cccc(OC)c2)nc(N)n1.COc1ccc(C)cc1Nc1cc(CN(C)Cc2ccccc2)nc(N)n1.COc1ccc(CN(C)Cc2cc(Nc3cccc(C)c3)nc(N)n2)cc1.COc1cccc(Nc2cc(CN(C)Cc3ccc(F)cc3)nc(N)n2)c1.COc1cccc(Nc2cc(CN(C)c3cccc(OC)c3)nc(N)n2)c1.COc1cccc(Nc2cc(CN3CCCC3c3ccccc3)nc(N)n2)c1
• InChI: InChI=1S/C22H27N5O2.C22H25N5O.3C21H25N5O.C20H22FN5O.C20H21N5O2.C20H23N5O2/c1-28-12-11-27(15-17-7-4-3-5-8-17)16-19-14-21(26-22(23)25-19)24-18-9-6-10-20(13-18)29-2;1-28-19-10-5-9-17(13-19)24-21-14-18(25-22(23)26-21)15-27-12-6-11-20(27)16-7-3-2-4-8-16;1-15-5-4-6-17(11-15)23-20-12-18(24-21(22)25-20)14-26(2)13-16-7-9-19(27-3)10-8-16;1-15-9-10-19(27-3)18(11-15)24-20-12-17(23-21(22)25-20)14-26(2)13-16-7-5-4-6-8-16;1-3-26(14-16-8-5-4-6-9-16)15-18-13-20(25-21(22)24-18)23-17-10-7-11-19(12-17)27-2;1-26(12-14-6-8-15(21)9-7-14)13-17-11-19(25-20(22)24-17)23-16-4-3-5-18(10-16)27-2;1-25(11-14-5-3-2-4-6-14)12-16-10-19(24-20(21)23-16)22-15-7-8-17-18(9-15)27-13-26-17;1-25(16-7-5-9-18(12-16)27-3)13-15-11-19(24-20(21)23-15)22-14-6-4-8-17(10-14)26-2/h3-10,13-14H,11-12,15-16H2,1-2H3,(H3,23,24,25,26);2-5,7-10,13-14,20H,6,11-12,15H2,1H3,(H3,23,24,25,26);2*4-12H,13-14H2,1-3H3,(H3,22,23,24,25);4-13H,3,14-15H2,1-2H3,(H3,22,23,24,25);3-11H,12-13H2,1-2H3,(H3,22,23,24,25);2-10H,11-13H2,1H3,(H3,21,22,23,24);4-12H,13H2,1-3H3,(H3,21,22,23,24)
• InChIKey: GGYPORLISOMUGV-UHFFFAOYSA-N
• XLogP: 29.14
• TPSA: 638.09 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 51
• Rotatable Bonds: 58
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2955.65
LogP ≤ 5	29.14
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine (CID 164986795) is 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine is CCN(Cc1ccccc1)Cc1cc(Nc2cccc(OC)c2)nc(N)n1.CN(Cc1ccccc1)Cc1cc(Nc2ccc3c(c2)OCO3)nc(N)n1.COCCN(Cc1ccccc1)Cc1cc(Nc2cccc(OC)c2)nc(N)n1.COc1ccc(C)cc1Nc1cc(CN(C)Cc2ccccc2)nc(N)n1.COc1ccc(CN(C)Cc2cc(Nc3cccc(C)c3)nc(N)n2)cc1.COc1cccc(Nc2cc(CN(C)Cc3ccc(F)cc3)nc(N)n2)c1.COc1cccc(Nc2cc(CN(C)c3cccc(OC)c3)nc(N)n2)c1.COc1cccc(Nc2cc(CN3CCCC3c3ccccc3)nc(N)n2)c1.

What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine?

The InChIKey is GGYPORLISOMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2.C22H25N5O.3C21H25N5O.C20H22FN5O.C20H21N5O2.C20H23N5O2/c1-28-12-11-27(15-17-7-4-3-5-8-17)16-19-14-21(26-22(23)25-19)24-18-9-6-10-20(13-18)29-2;1-28-19-10-5-9-17(13-19)24-21-14-18(25-22(23)26-21)15-27-12-6-11-20(27)16-7-3-2-4-8-16;1-15-5-4-6-17(11-15)23-20-12-18(24-21(22)25-20)14-26(2)13-16-7-9-19(27-3)10-8-16;1-15-9-10-19(27-3)18(11-15)24-20-12-17(23-21(22)25-20)14-26(2)13-16-7-5-4-6-8-16;1-3-26(14-16-8-5-4-6-9-16)15-18-13-20(25-21(22)24-18)23-17-10-7-11-19(12-17)27-2;1-26(12-14-6-8-15(21)9-7-14)13-17-11-19(25-20(22)24-17)23-16-4-3-5-18(10-16)27-2;1-25(11-14-5-3-2-4-6-14)12-16-10-19(24-20(21)23-16)22-15-7-8-17-18(9-15)27-13-26-17;1-25(16-7-5-9-18(12-16)27-3)13-15-11-19(24-20(21)23-15)22-14-6-4-8-17(10-14)26-2/h3-10,13-14H,11-12,15-16H2,1-2H3,(H3,23,24,25,26);2-5,7-10,13-14,20H,6,11-12,15H2,1H3,(H3,23,24,25,26);2*4-12H,13-14H2,1-3H3,(H3,22,23,24,25);4-13H,3,14-15H2,1-2H3,(H3,22,23,24,25);3-11H,12-13H2,1-2H3,(H3,22,23,24,25);2-10H,11-13H2,1H3,(H3,21,22,23,24);4-12H,13H2,1-3H3,(H3,21,22,23,24).

What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine?

4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 2955.65 g/mol, XLogP of 29.14, 58 rotatable bonds, 16 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 164986795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).