N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine

C81H71F2N23O4S5 — CID 162223683

About N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine

N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine (PubChem CID 162223683) has the molecular formula C81H71F2N23O4S5 and a molecular weight of 1628.95 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine
• PubChem CID: 162223683
• Molecular Formula: C81H71F2N23O4S5
• Molecular Weight: 1628.95 g/mol
• Exact Mass: 1627.46
• IUPAC Name: N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine
• SMILES: CCOc1ccc(Nc2nccc(-c3csc(C)n3)n2)cc1.Cc1nc(-c2ccnc(Nc3ccc(Nc4ccccc4)cc3)n2)cs1.Cc1nc(-c2ccnc(Nc3ccc4c(c3)OC(F)(F)O4)n2)cs1.Cc1nc(-c2ccnc(Nc3cccc(C(N)=O)c3)n2)cs1.Cc1nc(-c2ccnc(Nc3cccc(CN)c3)n2)cs1
• InChI: InChI=1S/C20H17N5S.C16H16N4OS.C15H10F2N4O2S.C15H13N5OS.C15H15N5S/c1-14-22-19(13-26-14)18-11-12-21-20(25-18)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15;1-3-21-13-6-4-12(5-7-13)19-16-17-9-8-14(20-16)15-10-22-11(2)18-15;1-8-19-11(7-24-8)10-4-5-18-14(21-10)20-9-2-3-12-13(6-9)23-15(16,17)22-12;1-9-18-13(8-22-9)12-5-6-17-15(20-12)19-11-4-2-3-10(7-11)14(16)21;1-10-18-14(9-21-10)13-5-6-17-15(20-13)19-12-4-2-3-11(7-12)8-16/h2-13,23H,1H3,(H,21,24,25);4-10H,3H2,1-2H3,(H,17,19,20);2-7H,1H3,(H,18,20,21);2-8H,1H3,(H2,16,21)(H,17,19,20);2-7,9H,8,16H2,1H3,(H,17,19,20)
• InChIKey: ZULVAVJQXYZFRU-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 362.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1628.95
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine?

The IUPAC name of N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine (CID 162223683) is N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine.

What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine?

The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine is CCOc1ccc(Nc2nccc(-c3csc(C)n3)n2)cc1.Cc1nc(-c2ccnc(Nc3ccc(Nc4ccccc4)cc3)n2)cs1.Cc1nc(-c2ccnc(Nc3ccc4c(c3)OC(F)(F)O4)n2)cs1.Cc1nc(-c2ccnc(Nc3cccc(C(N)=O)c3)n2)cs1.Cc1nc(-c2ccnc(Nc3cccc(CN)c3)n2)cs1.

What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine?

The InChIKey is ZULVAVJQXYZFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S.C16H16N4OS.C15H10F2N4O2S.C15H13N5OS.C15H15N5S/c1-14-22-19(13-26-14)18-11-12-21-20(25-18)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15;1-3-21-13-6-4-12(5-7-13)19-16-17-9-8-14(20-16)15-10-22-11(2)18-15;1-8-19-11(7-24-8)10-4-5-18-14(21-10)20-9-2-3-12-13(6-9)23-15(16,17)22-12;1-9-18-13(8-22-9)12-5-6-17-15(20-12)19-11-4-2-3-10(7-11)14(16)21;1-10-18-14(9-21-10)13-5-6-17-15(20-13)19-12-4-2-3-11(7-12)8-16/h2-13,23H,1H3,(H,21,24,25);4-10H,3H2,1-2H3,(H,17,19,20);2-7H,1H3,(H,18,20,21);2-8H,1H3,(H2,16,21)(H,17,19,20);2-7,9H,8,16H2,1H3,(H,17,19,20).

What are the key properties of N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine?

N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine has a molecular weight of 1628.95 g/mol, XLogP of 19.28, 21 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(aminomethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-[[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]benzamide;4-N-[4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-yl]-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 162223683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).