N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate

C80H79BBrCl4IN22O4 — CID 159139444

About N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate

N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate (PubChem CID 159139444) has the molecular formula C80H79BBrCl4IN22O4 and a molecular weight of 1772.09 g/mol. Its IUPAC name is N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate
• PubChem CID: 159139444
• Molecular Formula: C80H79BBrCl4IN22O4
• Molecular Weight: 1772.09 g/mol
• Exact Mass: 1768.37
• IUPAC Name: N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate
• SMILES: CC1(C)OB(c2ccnc(Nc3ccnc(C4CC4)n3)c2)OC1(C)C.COC(=O)c1c(Cl)ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)c1C.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1I.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1N.Cc1c(Br)cnc(Cl)c1N
• InChI: InChI=1S/C20H18ClN5O2.C18H23BN4O2.C18H15ClIN5.C18H17ClN6.C6H6BrClN2/c1-11-14(10-24-18(21)17(11)20(27)28-2)13-5-7-22-16(9-13)25-15-6-8-23-19(26-15)12-3-4-12;1-17(2)18(3,4)25-19(24-17)13-7-9-20-15(11-13)22-14-8-10-21-16(23-14)12-5-6-12;2*1-10-13(9-23-17(19)16(10)20)12-4-6-21-15(8-12)24-14-5-7-22-18(25-14)11-2-3-11;1-3-4(7)2-10-6(8)5(3)9/h5-10,12H,3-4H2,1-2H3,(H,22,23,25,26);7-12H,5-6H2,1-4H3,(H,20,21,22,23);4-9,11H,2-3H2,1H3,(H,21,22,24,25);4-9,11H,2-3,20H2,1H3,(H,21,22,24,25);2H,9H2,1H3
• InChIKey: KHXJPMKUFSXAGZ-UHFFFAOYSA-N
• XLogP: 18.70
• TPSA: 351.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.09
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate?

The IUPAC name of N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate (CID 159139444) is N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate.

What is the SMILES notation for N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate?

The canonical SMILES for N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate is CC1(C)OB(c2ccnc(Nc3ccnc(C4CC4)n3)c2)OC1(C)C.COC(=O)c1c(Cl)ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)c1C.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1I.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1N.Cc1c(Br)cnc(Cl)c1N.

What is the InChIKey of N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate?

The InChIKey is KHXJPMKUFSXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2.C18H23BN4O2.C18H15ClIN5.C18H17ClN6.C6H6BrClN2/c1-11-14(10-24-18(21)17(11)20(27)28-2)13-5-7-22-16(9-13)25-15-6-8-23-19(26-15)12-3-4-12;1-17(2)18(3,4)25-19(24-17)13-7-9-20-15(11-13)22-14-8-10-21-16(23-14)12-5-6-12;2*1-10-13(9-23-17(19)16(10)20)12-4-6-21-15(8-12)24-14-5-7-22-18(25-14)11-2-3-11;1-3-4(7)2-10-6(8)5(3)9/h5-10,12H,3-4H2,1-2H3,(H,22,23,25,26);7-12H,5-6H2,1-4H3,(H,20,21,22,23);4-9,11H,2-3H2,1H3,(H,21,22,24,25);4-9,11H,2-3,20H2,1H3,(H,21,22,24,25);2H,9H2,1H3.

What are the key properties of N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate?

N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate has a molecular weight of 1772.09 g/mol, XLogP of 18.70, 17 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 159139444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).