N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C88H65F2N23O2S6 — CID 159721612

IUPACN-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Fc1cccc(F)c1Nc1nccc(-c2nccs2)n1.Nc1cccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.c1ccc(Sc2cccc(Nc3nccc(-c4nccs4)n3)n2)cc1.c1cncc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C20H16N4OS.C19H15N5OS.C18H13N5S2.C18H13N5S.C13H8F2N4S/c1-25-17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-26-19;20-13-3-1-5-15(11-13)25-16-6-2-4-14(12-16)23-19-22-8-7-17(24-19)18-21-9-10-26-18;1-2-5-13(6-3-1)25-16-8-4-7-15(22-16)23-18-20-10-9-14(21-18)17-19-11-12-24-17;1-3-13(14-4-2-7-19-12-14)11-15(5-1)22-18-21-8-6-16(23-18)17-20-9-10-24-17;14-8-2-1-3-9(15)11(8)19-13-17-5-4-10(18-13)12-16-6-7-20-12/h2-13H,1H3,(H,22,23,24);1-12H,20H2,(H,22,23,24);1-12H,(H,20,21,22,23);1-12H,(H,21,22,23);1-7H,(H,17,18,19)
InChIKeyNACNMVFTIZOBGL-UHFFFAOYSA-N
MW1707.04 g/mol
LogP22.66
Rot. Bonds22

About N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 159721612) has the molecular formula C88H65F2N23O2S6 and a molecular weight of 1707.04 g/mol. Its IUPAC name is N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID159721612
Molecular FormulaC88H65F2N23O2S6
Molecular Weight1707.04 g/mol
Exact Mass1705.40
IUPAC NameN-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Fc1cccc(F)c1Nc1nccc(-c2nccs2)n1.Nc1cccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.c1ccc(Sc2cccc(Nc3nccc(-c4nccs4)n3)n2)cc1.c1cncc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C20H16N4OS.C19H15N5OS.C18H13N5S2.C18H13N5S.C13H8F2N4S/c1-25-17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-26-19;20-13-3-1-5-15(11-13)25-16-6-2-4-14(12-16)23-19-22-8-7-17(24-19)18-21-9-10-26-18;1-2-5-13(6-3-1)25-16-8-4-7-15(22-16)23-18-20-10-9-14(21-18)17-19-11-12-24-17;1-3-13(14-4-2-7-19-12-14)11-15(5-1)22-18-21-8-6-16(23-18)17-20-9-10-24-17;14-8-2-1-3-9(15)11(8)19-13-17-5-4-10(18-13)12-16-6-7-20-12/h2-13H,1H3,(H,22,23,24);1-12H,20H2,(H,22,23,24);1-12H,(H,20,21,22,23);1-12H,(H,21,22,23);1-7H,(H,17,18,19)
InChIKeyNACNMVFTIZOBGL-UHFFFAOYSA-N
XLogP22.66
TPSA323.76 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms121
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001707.04
LogP ≤ 522.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 159721612) is N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is COc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Fc1cccc(F)c1Nc1nccc(-c2nccs2)n1.Nc1cccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.c1ccc(Sc2cccc(Nc3nccc(-c4nccs4)n3)n2)cc1.c1cncc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.
What is the InChIKey of N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is NACNMVFTIZOBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS.C19H15N5OS.C18H13N5S2.C18H13N5S.C13H8F2N4S/c1-25-17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-26-19;20-13-3-1-5-15(11-13)25-16-6-2-4-14(12-16)23-19-22-8-7-17(24-19)18-21-9-10-26-18;1-2-5-13(6-3-1)25-16-8-4-7-15(22-16)23-18-20-10-9-14(21-18)17-19-11-12-24-17;1-3-13(14-4-2-7-19-12-14)11-15(5-1)22-18-21-8-6-16(23-18)17-20-9-10-24-17;14-8-2-1-3-9(15)11(8)19-13-17-5-4-10(18-13)12-16-6-7-20-12/h2-13H,1H3,(H,22,23,24);1-12H,20H2,(H,22,23,24);1-12H,(H,20,21,22,23);1-12H,(H,21,22,23);1-7H,(H,17,18,19).
What are the key properties of N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 1707.04 g/mol, XLogP of 22.66, 22 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenylsulfanyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 159721612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).