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

C77H88N20OS4 — CID 159327009

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

N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine (PubChem CID 159327009) has the molecular formula C77H88N20OS4 and a molecular weight of 1437.96 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine
• PubChem CID: 159327009
• Molecular Formula: C77H88N20OS4
• Molecular Weight: 1437.96 g/mol
• Exact Mass: 1436.63
• IUPAC Name: N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine
• SMILES: CCN1CCN(Cc2cnc(-c3ccnc(Nc4cc(C)cc(C)c4)n3)s2)CC1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)c1.Cc1cnc(-c2ccnc(Nc3ccccc3)n2)s1
• InChI: InChI=1S/C22H28N6S.C21H25N5S.C20H23N5OS.C14H12N4S/c1-4-27-7-9-28(10-8-27)15-19-14-24-21(29-19)20-5-6-23-22(26-20)25-18-12-16(2)11-17(3)13-18;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)23-20-21-4-3-18(24-20)19-22-12-17(27-19)13-25-5-7-26-8-6-25;1-10-9-16-13(19-10)12-7-8-15-14(18-12)17-11-5-3-2-4-6-11/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,23,25,26);6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,22,24,25);3-4,9-12H,5-8,13H2,1-2H3,(H,21,23,24);2-9H,1H3,(H,15,17,18)
• InChIKey: LEMJWCOKFMOFRD-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 224.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1437.96
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine (CID 159327009) is N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine.

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

The canonical SMILES for N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine is CCN1CCN(Cc2cnc(-c3ccnc(Nc4cc(C)cc(C)c4)n3)s2)CC1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)c1.Cc1cnc(-c2ccnc(Nc3ccccc3)n2)s1.

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

The InChIKey is LEMJWCOKFMOFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6S.C21H25N5S.C20H23N5OS.C14H12N4S/c1-4-27-7-9-28(10-8-27)15-19-14-24-21(29-19)20-5-6-23-22(26-20)25-18-12-16(2)11-17(3)13-18;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)23-20-21-4-3-18(24-20)19-22-12-17(27-19)13-25-5-7-26-8-6-25;1-10-9-16-13(19-10)12-7-8-15-14(18-12)17-11-5-3-2-4-6-11/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,23,25,26);6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,22,24,25);3-4,9-12H,5-8,13H2,1-2H3,(H,21,23,24);2-9H,1H3,(H,15,17,18).

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

N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 1437.96 g/mol, XLogP of 16.49, 19 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-4-[5-[(4-ethylpiperazin-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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 159327009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).