3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine

C65H79BrN20O5 — CID 158839999

About 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine

3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 158839999) has the molecular formula C65H79BrN20O5 and a molecular weight of 1300.39 g/mol. Its IUPAC name is 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine
• PubChem CID: 158839999
• Molecular Formula: C65H79BrN20O5
• Molecular Weight: 1300.39 g/mol
• Exact Mass: 1298.57
• IUPAC Name: 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine
• SMILES: C#Cc1cc(Oc2cnc(NC(C)C)nc2N)c(C(C)C)cn1.C#Cc1cc(Oc2cnc(NC)nc2N)c(C(C)C)cn1.C#Cc1cc(Oc2cnc(NC3CC3)nc2N)c(C(C)C)cn1.CC(CO)CNc1ncc(Oc2cc(Br)ncc2C(C)C)c(N)n1
• InChI: InChI=1S/C17H19N5O.C17H21N5O.C16H22BrN5O2.C15H17N5O/c1-4-11-7-14(13(8-19-11)10(2)3)23-15-9-20-17(22-16(15)18)21-12-5-6-12;1-6-12-7-14(13(8-19-12)10(2)3)23-15-9-20-17(21-11(4)5)22-16(15)18;1-9(2)11-6-19-14(17)4-12(11)24-13-7-21-16(22-15(13)18)20-5-10(3)8-23;1-5-10-6-12(11(7-18-10)9(2)3)21-13-8-19-15(17-4)20-14(13)16/h1,7-10,12H,5-6H2,2-3H3,(H3,18,20,21,22);1,7-11H,2-5H3,(H3,18,20,21,22);4,6-7,9-10,23H,5,8H2,1-3H3,(H3,18,20,21,22);1,6-9H,2-4H3,(H3,16,17,19,20)
• InChIKey: IYCRFHJBTINGDZ-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 364.03 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1300.39
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine?

The IUPAC name of 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 158839999) is 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine.

What is the SMILES notation for 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine?

The canonical SMILES for 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine is C#Cc1cc(Oc2cnc(NC(C)C)nc2N)c(C(C)C)cn1.C#Cc1cc(Oc2cnc(NC)nc2N)c(C(C)C)cn1.C#Cc1cc(Oc2cnc(NC3CC3)nc2N)c(C(C)C)cn1.CC(CO)CNc1ncc(Oc2cc(Br)ncc2C(C)C)c(N)n1.

What is the InChIKey of 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine?

The InChIKey is IYCRFHJBTINGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.C17H21N5O.C16H22BrN5O2.C15H17N5O/c1-4-11-7-14(13(8-19-11)10(2)3)23-15-9-20-17(22-16(15)18)21-12-5-6-12;1-6-12-7-14(13(8-19-12)10(2)3)23-15-9-20-17(21-11(4)5)22-16(15)18;1-9(2)11-6-19-14(17)4-12(11)24-13-7-21-16(22-15(13)18)20-5-10(3)8-23;1-5-10-6-12(11(7-18-10)9(2)3)21-13-8-19-15(17-4)20-14(13)16/h1,7-10,12H,5-6H2,2-3H3,(H3,18,20,21,22);1,7-11H,2-5H3,(H3,18,20,21,22);4,6-7,9-10,23H,5,8H2,1-3H3,(H3,18,20,21,22);1,6-9H,2-4H3,(H3,16,17,19,20).

What are the key properties of 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine?

3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 1300.39 g/mol, XLogP of 11.66, 21 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]-2-methylpropan-1-ol;2-N-cyclopropyl-5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-methylpyrimidine-2,4-diamine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 158839999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).