azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane

C64H88ClIN22O13S3 — CID 160592453

About azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane

azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane (PubChem CID 160592453) has the molecular formula C64H88ClIN22O13S3 and a molecular weight of 1632.11 g/mol. Its IUPAC name is azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane.

Molecular Properties

• Compound Name: azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane
• PubChem CID: 160592453
• Molecular Formula: C64H88ClIN22O13S3
• Molecular Weight: 1632.11 g/mol
• Exact Mass: 1630.48
• IUPAC Name: azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane
• SMILES: C.C1CCOC1.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1I.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(=O)(=O)Cl.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SCc1ccccc1.N
• InChI: InChI=1S/C20H23N5O2S.C13H16ClN5O4S.C13H16IN5O2.C13H18N6O4S.C4H8O.CH4.H3N/c1-12(2)17-14(27-15-10-23-20(22)25-18(15)21)9-16(19(24-17)26-3)28-11-13-7-5-4-6-8-13;1-6(2)10-7(23-8-5-17-13(16)19-11(8)15)4-9(24(14,20)21)12(18-10)22-3;1-6(2)10-8(4-7(14)12(18-10)20-3)21-9-5-17-13(16)19-11(9)15;1-6(2)10-7(23-8-5-17-13(15)19-11(8)14)4-9(24(16,20)21)12(18-10)22-3;1-2-4-5-3-1;;/h4-10,12H,11H2,1-3H3,(H4,21,22,23,25);4-6H,1-3H3,(H4,15,16,17,19);4-6H,1-3H3,(H4,15,16,17,19);4-6H,1-3H3,(H2,16,20,21)(H4,14,15,17,19);1-4H2;1H4;1H3
• InChIKey: NFFDETSZLMVVPH-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 575.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.11
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane?

The IUPAC name of azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane (CID 160592453) is azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane.

What is the SMILES notation for azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane?

The canonical SMILES for azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane is C.C1CCOC1.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1I.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(=O)(=O)Cl.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SCc1ccccc1.N.

What is the InChIKey of azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane?

The InChIKey is NFFDETSZLMVVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S.C13H16ClN5O4S.C13H16IN5O2.C13H18N6O4S.C4H8O.CH4.H3N/c1-12(2)17-14(27-15-10-23-20(22)25-18(15)21)9-16(19(24-17)26-3)28-11-13-7-5-4-6-8-13;1-6(2)10-7(23-8-5-17-13(16)19-11(8)15)4-9(24(14,20)21)12(18-10)22-3;1-6(2)10-8(4-7(14)12(18-10)20-3)21-9-5-17-13(16)19-11(9)15;1-6(2)10-7(23-8-5-17-13(15)19-11(8)14)4-9(24(16,20)21)12(18-10)22-3;1-2-4-5-3-1;;/h4-10,12H,11H2,1-3H3,(H4,21,22,23,25);4-6H,1-3H3,(H4,15,16,17,19);4-6H,1-3H3,(H4,15,16,17,19);4-6H,1-3H3,(H2,16,20,21)(H4,14,15,17,19);1-4H2;1H4;1H3.

What are the key properties of azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane?

azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane has a molecular weight of 1632.11 g/mol, XLogP of 10.91, 21 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for azane;5-[(5-benzylsulfanyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonyl chloride;5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;methane;oxolane is sourced from PubChem (CID 160592453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).