N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine

C84H60ClF6IN22OS5 — CID 159422338

About N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine

N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine (PubChem CID 159422338) has the molecular formula C84H60ClF6IN22OS5 and a molecular weight of 1830.24 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine
• PubChem CID: 159422338
• Molecular Formula: C84H60ClF6IN22OS5
• Molecular Weight: 1830.24 g/mol
• Exact Mass: 1828.26
• IUPAC Name: N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine
• SMILES: Clc1cccc(Nc2nccc(-c3nccs3)n2)n1.FC(F)(F)c1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.FC(F)(F)c1ccccc1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.Ic1cccc(Nc2nccc(-c3nccs3)n2)c1.c1cc(Nc2nccc(-c3nccs3)n2)cc(OCCn2cccc2)c1
• InChI: InChI=1S/2C20H13F3N4S.C19H17N5OS.C13H9IN4S.C12H8ClN5S/c21-20(22,23)15-5-1-3-13(11-15)14-4-2-6-16(12-14)26-19-25-8-7-17(27-19)18-24-9-10-28-18;21-20(22,23)16-7-2-1-6-15(16)13-4-3-5-14(12-13)26-19-25-9-8-17(27-19)18-24-10-11-28-18;1-2-10-24(9-1)11-12-25-16-5-3-4-15(14-16)22-19-21-7-6-17(23-19)18-20-8-13-26-18;14-9-2-1-3-10(8-9)17-13-16-5-4-11(18-13)12-15-6-7-19-12;13-9-2-1-3-10(17-9)18-12-15-5-4-8(16-12)11-14-6-7-19-11/h2*1-12H,(H,25,26,27);1-10,13-14H,11-12H2,(H,21,22,23);1-8H,(H,16,17,18);1-7H,(H,15,16,17,18)
• InChIKey: LPXOOBKOKQWSIL-UHFFFAOYSA-N
• XLogP: 23.62
• TPSA: 280.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.24
LogP ≤ 5	23.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine?

The IUPAC name of N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine (CID 159422338) is N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine is Clc1cccc(Nc2nccc(-c3nccs3)n2)n1.FC(F)(F)c1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.FC(F)(F)c1ccccc1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.Ic1cccc(Nc2nccc(-c3nccs3)n2)c1.c1cc(Nc2nccc(-c3nccs3)n2)cc(OCCn2cccc2)c1.

What is the InChIKey of N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine?

The InChIKey is LPXOOBKOKQWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13F3N4S.C19H17N5OS.C13H9IN4S.C12H8ClN5S/c21-20(22,23)15-5-1-3-13(11-15)14-4-2-6-16(12-14)26-19-25-8-7-17(27-19)18-24-9-10-28-18;21-20(22,23)16-7-2-1-6-15(16)13-4-3-5-14(12-13)26-19-25-9-8-17(27-19)18-24-10-11-28-18;1-2-10-24(9-1)11-12-25-16-5-3-4-15(14-16)22-19-21-7-6-17(23-19)18-20-8-13-26-18;14-9-2-1-3-10(8-9)17-13-16-5-4-11(18-13)12-15-6-7-19-12;13-9-2-1-3-10(17-9)18-12-15-5-4-8(16-12)11-14-6-7-19-11/h2*1-12H,(H,25,26,27);1-10,13-14H,11-12H2,(H,21,22,23);1-8H,(H,16,17,18);1-7H,(H,15,16,17,18).

What are the key properties of N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine?

N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine has a molecular weight of 1830.24 g/mol, XLogP of 23.62, 21 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159422338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).