5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C72H88Br3N17O5 — CID 158996687

About 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 158996687) has the molecular formula C72H88Br3N17O5 and a molecular weight of 1511.32 g/mol. Its IUPAC name is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
• PubChem CID: 158996687
• Molecular Formula: C72H88Br3N17O5
• Molecular Weight: 1511.32 g/mol
• Exact Mass: 1507.47
• IUPAC Name: 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
• SMILES: CC(C)c1cnc(Br)cc1Oc1cnc(N)nc1NC1CCCCC1.COc1cc(Oc2cnc(C)nc2N)c(/C=C/c2ccccc2)cn1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(NCC(C)C)n1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(N[C@H](C)C2CC2)n1
• InChI: InChI=1S/C19H18N4O2.C18H24BrN5O.C18H23BrN4O.C17H23BrN4O/c1-13-21-12-17(19(20)23-13)25-16-10-18(24-2)22-11-15(16)9-8-14-6-4-3-5-7-14;1-11(2)13-9-21-16(19)8-14(13)25-15-10-22-18(20)24-17(15)23-12-6-4-3-5-7-12;1-10(2)14-8-21-17(19)7-15(14)24-16-9-20-12(4)23-18(16)22-11(3)13-5-6-13;1-10(2)7-21-17-15(9-19-12(5)22-17)23-14-6-16(18)20-8-13(14)11(3)4/h3-12H,1-2H3,(H2,20,21,23);8-12H,3-7H2,1-2H3,(H3,20,22,23,24);7-11,13H,5-6H2,1-4H3,(H,20,22,23);6,8-11H,7H2,1-5H3,(H,19,21,22)/b9-8+;;;/t;;11-;/m..1./s1
• InChIKey: JQVBZBRJEJSVNR-WWGJPOGJSA-N
• XLogP: 18.60
• TPSA: 288.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.32
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?

The IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 158996687) is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

What is the SMILES notation for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?

The canonical SMILES for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is CC(C)c1cnc(Br)cc1Oc1cnc(N)nc1NC1CCCCC1.COc1cc(Oc2cnc(C)nc2N)c(/C=C/c2ccccc2)cn1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(NCC(C)C)n1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(N[C@H](C)C2CC2)n1.

What is the InChIKey of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?

The InChIKey is JQVBZBRJEJSVNR-WWGJPOGJSA-N. The full InChI is InChI=1S/C19H18N4O2.C18H24BrN5O.C18H23BrN4O.C17H23BrN4O/c1-13-21-12-17(19(20)23-13)25-16-10-18(24-2)22-11-15(16)9-8-14-6-4-3-5-7-14;1-11(2)13-9-21-16(19)8-14(13)25-15-10-22-18(20)24-17(15)23-12-6-4-3-5-7-12;1-10(2)14-8-21-17(19)7-15(14)24-16-9-20-12(4)23-18(16)22-11(3)13-5-6-13;1-10(2)7-21-17-15(9-19-12(5)22-17)23-14-6-16(18)20-8-13(14)11(3)4/h3-12H,1-2H3,(H2,20,21,23);8-12H,3-7H2,1-2H3,(H3,20,22,23,24);7-11,13H,5-6H2,1-4H3,(H,20,22,23);6,8-11H,7H2,1-5H3,(H,19,21,22)/b9-8+;;;/t;;11-;/m..1./s1.

What are the key properties of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 1511.32 g/mol, XLogP of 18.60, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclohexylpyrimidine-2,4-diamine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-N-[(1R)-1-cyclopropylethyl]-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2-methylpropyl)pyrimidin-4-amine;5-[[2-methoxy-5-[(E)-2-phenylethenyl]-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 158996687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).