4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine

C72H82BrN19OS4 — CID 157134482

About 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine

4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 157134482) has the molecular formula C72H82BrN19OS4 and a molecular weight of 1437.75 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine
• PubChem CID: 157134482
• Molecular Formula: C72H82BrN19OS4
• Molecular Weight: 1437.75 g/mol
• Exact Mass: 1435.50
• IUPAC Name: 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine
• SMILES: CCN(CC)CCCNCc1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1.Cc1cc(C)cc(Nc2nccc(-c3nc(Br)cs3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN(C)C)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CO)s3)n2)c1
• InChI: InChI=1S/C23H32N6S.C18H21N5S.C16H16N4OS.C15H13BrN4S/c1-5-29(6-2)11-7-9-24-15-20-16-26-22(30-20)21-8-10-25-23(28-21)27-19-13-17(3)12-18(4)14-19;1-12-7-13(2)9-14(8-12)21-18-19-6-5-16(22-18)17-20-10-15(24-17)11-23(3)4;1-10-5-11(2)7-12(6-10)19-16-17-4-3-14(20-16)15-18-8-13(9-21)22-15;1-9-5-10(2)7-11(6-9)18-15-17-4-3-12(19-15)14-20-13(16)8-21-14/h8,10,12-14,16,24H,5-7,9,11,15H2,1-4H3,(H,25,27,28);5-10H,11H2,1-4H3,(H,19,21,22);3-8,21H,9H2,1-2H3,(H,17,19,20);3-8H,1-2H3,(H,17,18,19)
• InChIKey: AJLPOZSPMHNZCE-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 241.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1437.75
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine?

The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine (CID 157134482) is 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine.

What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine?

The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNCc1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1.Cc1cc(C)cc(Nc2nccc(-c3nc(Br)cs3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN(C)C)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CO)s3)n2)c1.

What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine?

The InChIKey is AJLPOZSPMHNZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6S.C18H21N5S.C16H16N4OS.C15H13BrN4S/c1-5-29(6-2)11-7-9-24-15-20-16-26-22(30-20)21-8-10-25-23(28-21)27-19-13-17(3)12-18(4)14-19;1-12-7-13(2)9-14(8-12)21-18-19-6-5-16(22-18)17-20-10-15(24-17)11-23(3)4;1-10-5-11(2)7-12(6-10)19-16-17-4-3-14(20-16)15-18-8-13(9-21)22-15;1-9-5-10(2)7-11(6-9)18-15-17-4-3-12(19-15)14-20-13(16)8-21-14/h8,10,12-14,16,24H,5-7,9,11,15H2,1-4H3,(H,25,27,28);5-10H,11H2,1-4H3,(H,19,21,22);3-8,21H,9H2,1-2H3,(H,17,19,20);3-8H,1-2H3,(H,17,18,19).

What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine?

4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 1437.75 g/mol, XLogP of 16.98, 23 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromo-1,3-thiazol-2-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine;4-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methanol;N-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 157134482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).