N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

C82H98N22OS4 — CID 159288270

About N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 159288270) has the molecular formula C82H98N22OS4 and a molecular weight of 1536.11 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
• PubChem CID: 159288270
• Molecular Formula: C82H98N22OS4
• Molecular Weight: 1536.11 g/mol
• Exact Mass: 1534.72
• IUPAC Name: N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
• SMILES: Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCN(C)CC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCNCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)c1
• InChI: InChI=1S/C21H26N6S.C21H25N5S.C20H24N6S.C20H23N5OS/c1-15-10-16(2)12-17(11-15)24-21-22-5-4-19(25-21)20-23-13-18(28-20)14-27-8-6-26(3)7-9-27;1-15-10-16(2)12-17(11-15)24-21-22-7-6-19(25-21)20-23-13-18(27-20)14-26-8-4-3-5-9-26;1-14-9-15(2)11-16(10-14)24-20-22-4-3-18(25-20)19-23-12-17(27-19)13-26-7-5-21-6-8-26;1-14-9-15(2)11-16(10-14)23-20-21-4-3-18(24-20)19-22-12-17(27-19)13-25-5-7-26-8-6-25/h4-5,10-13H,6-9,14H2,1-3H3,(H,22,24,25);6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,22,24,25);3-4,9-12,21H,5-8,13H2,1-2H3,(H,22,24,25);3-4,9-12H,5-8,13H2,1-2H3,(H,21,23,24)
• InChIKey: KZUAHEWDJYWTJU-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 240.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1536.11
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The IUPAC name of N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 159288270) is N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The canonical SMILES for N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCN(C)CC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCNCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)c1.

What is the InChIKey of N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The InChIKey is KZUAHEWDJYWTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6S.C21H25N5S.C20H24N6S.C20H23N5OS/c1-15-10-16(2)12-17(11-15)24-21-22-5-4-19(25-21)20-23-13-18(28-20)14-27-8-6-26(3)7-9-27;1-15-10-16(2)12-17(11-15)24-21-22-7-6-19(25-21)20-23-13-18(27-20)14-26-8-4-3-5-9-26;1-14-9-15(2)11-16(10-14)24-20-22-4-3-18(25-20)19-23-12-17(27-19)13-26-7-5-21-6-8-26;1-14-9-15(2)11-16(10-14)23-20-21-4-3-18(24-20)19-22-12-17(27-19)13-25-5-7-26-8-6-25/h4-5,10-13H,6-9,14H2,1-3H3,(H,22,24,25);6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,22,24,25);3-4,9-12,21H,5-8,13H2,1-2H3,(H,22,24,25);3-4,9-12H,5-8,13H2,1-2H3,(H,21,23,24).

What are the key properties of N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 1536.11 g/mol, XLogP of 15.81, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-4-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 159288270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).