N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C91H64Cl2F3N21O4S5 — CID 158505814

About N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 158505814) has the molecular formula C91H64Cl2F3N21O4S5 and a molecular weight of 1803.89 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
• PubChem CID: 158505814
• Molecular Formula: C91H64Cl2F3N21O4S5
• Molecular Weight: 1803.89 g/mol
• Exact Mass: 1801.34
• IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
• SMILES: Clc1ccc(Cl)c(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.Fc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c(F)c1.Fc1cccc(Nc2nccc(-c3nccs3)n2)c1.c1cc(Nc2nccc(-c3nccs3)n2)cc(OCc2ccc3c(c2)OCO3)c1.c1ccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)nc1
• InChI: InChI=1S/C21H16N4O3S.C19H12Cl2N4S.C19H12F2N4S.C19H15N5OS.C13H9FN4S/c1-2-15(24-21-23-7-6-17(25-21)20-22-8-9-29-20)11-16(3-1)26-12-14-4-5-18-19(10-14)28-13-27-18;20-13-4-5-16(21)15(11-13)12-2-1-3-14(10-12)24-19-23-7-6-17(25-19)18-22-8-9-26-18;20-13-4-5-15(16(21)11-13)12-2-1-3-14(10-12)24-19-23-7-6-17(25-19)18-22-8-9-26-18;1-2-8-20-15(4-1)13-25-16-6-3-5-14(12-16)23-19-22-9-7-17(24-19)18-21-10-11-26-18;14-9-2-1-3-10(8-9)17-13-16-5-4-11(18-13)12-15-6-7-19-12/h1-11H,12-13H2,(H,23,24,25);2*1-11H,(H,23,24,25);1-12H,13H2,(H,22,23,24);1-8H,(H,16,17,18)
• InChIKey: HKLLCJRXWUMBLV-UHFFFAOYSA-N
• XLogP: 24.06
• TPSA: 303.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1803.89
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 158505814) is N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Clc1ccc(Cl)c(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.Fc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c(F)c1.Fc1cccc(Nc2nccc(-c3nccs3)n2)c1.c1cc(Nc2nccc(-c3nccs3)n2)cc(OCc2ccc3c(c2)OCO3)c1.c1ccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)nc1.

What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The InChIKey is HKLLCJRXWUMBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S.C19H12Cl2N4S.C19H12F2N4S.C19H15N5OS.C13H9FN4S/c1-2-15(24-21-23-7-6-17(25-21)20-22-8-9-29-20)11-16(3-1)26-12-14-4-5-18-19(10-14)28-13-27-18;20-13-4-5-16(21)15(11-13)12-2-1-3-14(10-12)24-19-23-7-6-17(25-19)18-22-8-9-26-18;20-13-4-5-15(16(21)11-13)12-2-1-3-14(10-12)24-19-23-7-6-17(25-19)18-22-8-9-26-18;1-2-8-20-15(4-1)13-25-16-6-3-5-14(12-16)23-19-22-9-7-17(24-19)18-21-10-11-26-18;14-9-2-1-3-10(8-9)17-13-16-5-4-11(18-13)12-15-6-7-19-12/h1-11H,12-13H2,(H,23,24,25);2*1-11H,(H,23,24,25);1-12H,13H2,(H,22,23,24);1-8H,(H,16,17,18).

What are the key properties of N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 1803.89 g/mol, XLogP of 24.06, 23 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,5-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,4-difluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 158505814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).