2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine

C83H101N19O4S4 — CID 157267065

About 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine

2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 157267065) has the molecular formula C83H101N19O4S4 and a molecular weight of 1557.12 g/mol. Its IUPAC name is 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine
• PubChem CID: 157267065
• Molecular Formula: C83H101N19O4S4
• Molecular Weight: 1557.12 g/mol
• Exact Mass: 1555.72
• IUPAC Name: 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine
• SMILES: CCOCc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.COCc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCCC(CO)C4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCN(CCO)CC4)s3)n2)c1
• InChI: InChI=1S/C23H30N6OS.C23H29N5OS.C19H22N4OS.C18H20N4OS/c1-16-12-17(2)14-19(13-16)26-23-24-5-4-20(27-23)22-25-18(3)21(31-22)15-29-8-6-28(7-9-29)10-11-30;1-15-9-16(2)11-19(10-15)26-23-24-7-6-20(27-23)22-25-17(3)21(30-22)13-28-8-4-5-18(12-28)14-29;1-5-24-11-17-14(4)21-18(25-17)16-6-7-20-19(23-16)22-15-9-12(2)8-13(3)10-15;1-11-7-12(2)9-14(8-11)21-18-19-6-5-15(22-18)17-20-13(3)16(24-17)10-23-4/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,24,26,27);6-7,9-11,18,29H,4-5,8,12-14H2,1-3H3,(H,24,26,27);6-10H,5,11H2,1-4H3,(H,20,22,23);5-9H,10H2,1-4H3,(H,19,21,22)
• InChIKey: AYCPTDQEHAJSSH-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 271.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1557.12
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine?

The IUPAC name of 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 157267065) is 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine.

What is the SMILES notation for 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine?

The canonical SMILES for 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine is CCOCc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.COCc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCCC(CO)C4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCN(CCO)CC4)s3)n2)c1.

What is the InChIKey of 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine?

The InChIKey is AYCPTDQEHAJSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS.C23H29N5OS.C19H22N4OS.C18H20N4OS/c1-16-12-17(2)14-19(13-16)26-23-24-5-4-20(27-23)22-25-18(3)21(31-22)15-29-8-6-28(7-9-29)10-11-30;1-15-9-16(2)11-19(10-15)26-23-24-7-6-20(27-23)22-25-17(3)21(30-22)13-28-8-4-5-18(12-28)14-29;1-5-24-11-17-14(4)21-18(25-17)16-6-7-20-19(23-16)22-15-9-12(2)8-13(3)10-15;1-11-7-12(2)9-14(8-11)21-18-19-6-5-15(22-18)17-20-13(3)16(24-17)10-23-4/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,24,26,27);6-7,9-11,18,29H,4-5,8,12-14H2,1-3H3,(H,24,26,27);6-10H,5,11H2,1-4H3,(H,20,22,23);5-9H,10H2,1-4H3,(H,19,21,22).

What are the key properties of 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine?

2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 1557.12 g/mol, XLogP of 17.07, 24 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol;[1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanol;N-(3,5-dimethylphenyl)-4-[5-(ethoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 157267065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).