2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane

C157H218N48O25S8 — CID 158029788

About 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane

2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane (PubChem CID 158029788) has the molecular formula C157H218N48O25S8 and a molecular weight of 3437.34 g/mol. Its IUPAC name is 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane.

Molecular Properties

• Compound Name: 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane
• PubChem CID: 158029788
• Molecular Formula: C157H218N48O25S8
• Molecular Weight: 3437.34 g/mol
• Exact Mass: 3434.52
• IUPAC Name: 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane
• SMILES: CCCCO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CCCCO[C@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CCCO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CCCO[C@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CCO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.COCCO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.S.S.S.S.S.S.S.S.[2H]C([2H])([2H])O[C@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1
• InChI: InChI=1S/2C21H28N6O3.C20H26N6O4.2C20H26N6O3.C19H24N6O3.2C18H22N6O3.8H2S/c2*1-2-3-8-29-15-10-23-17-9-14(6-7-18(17)30-12-15)26-21-24-11-16(19(22)28)20(27-21)25-13-4-5-13;1-28-6-7-29-14-9-22-16-8-13(4-5-17(16)30-11-14)25-20-23-10-15(18(21)27)19(26-20)24-12-2-3-12;2*1-2-7-28-14-9-22-16-8-13(5-6-17(16)29-11-14)25-20-23-10-15(18(21)27)19(26-20)24-12-3-4-12;1-2-27-13-8-21-15-7-12(5-6-16(15)28-10-13)24-19-22-9-14(17(20)26)18(25-19)23-11-3-4-11;2*1-26-12-7-20-14-6-11(4-5-15(14)27-9-12)23-18-21-8-13(16(19)25)17(24-18)22-10-2-3-10;;;;;;;;/h2*6-7,9,11,13,15,23H,2-5,8,10,12H2,1H3,(H2,22,28)(H2,24,25,26,27);4-5,8,10,12,14,22H,2-3,6-7,9,11H2,1H3,(H2,21,27)(H2,23,24,25,26);2*5-6,8,10,12,14,22H,2-4,7,9,11H2,1H3,(H2,21,27)(H2,23,24,25,26);5-7,9,11,13,21H,2-4,8,10H2,1H3,(H2,20,26)(H2,22,23,24,25);2*4-6,8,10,12,20H,2-3,7,9H2,1H3,(H2,19,25)(H2,21,22,23,24);8*1H2/t2*15-;3*14-;13-;2*12-;;;;;;;;/m10110110......../s1/i;;;;;;;1D3
• InChIKey: FHAUJMCWYQAZPB-VNVYAJDDSA-N
• XLogP: 18.91
• TPSA: 996.59 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 65
• Rotatable Bonds: 63
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3437.34
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane?

The IUPAC name of 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane (CID 158029788) is 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane.

What is the SMILES notation for 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane?

The canonical SMILES for 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane is CCCCO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CCCCO[C@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CCCO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CCCO[C@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CCO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.COCCO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.CO[C@@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.S.S.S.S.S.S.S.S.[2H]C([2H])([2H])O[C@H]1CNc2cc(Nc3ncc(C(N)=O)c(NC4CC4)n3)ccc2OC1.

What is the InChIKey of 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane?

The InChIKey is FHAUJMCWYQAZPB-VNVYAJDDSA-N. The full InChI is InChI=1S/2C21H28N6O3.C20H26N6O4.2C20H26N6O3.C19H24N6O3.2C18H22N6O3.8H2S/c2*1-2-3-8-29-15-10-23-17-9-14(6-7-18(17)30-12-15)26-21-24-11-16(19(22)28)20(27-21)25-13-4-5-13;1-28-6-7-29-14-9-22-16-8-13(4-5-17(16)30-11-14)25-20-23-10-15(18(21)27)19(26-20)24-12-2-3-12;2*1-2-7-28-14-9-22-16-8-13(5-6-17(16)29-11-14)25-20-23-10-15(18(21)27)19(26-20)24-12-3-4-12;1-2-27-13-8-21-15-7-12(5-6-16(15)28-10-13)24-19-22-9-14(17(20)26)18(25-19)23-11-3-4-11;2*1-26-12-7-20-14-6-11(4-5-15(14)27-9-12)23-18-21-8-13(16(19)25)17(24-18)22-10-2-3-10;;;;;;;;/h2*6-7,9,11,13,15,23H,2-5,8,10,12H2,1H3,(H2,22,28)(H2,24,25,26,27);4-5,8,10,12,14,22H,2-3,6-7,9,11H2,1H3,(H2,21,27)(H2,23,24,25,26);2*5-6,8,10,12,14,22H,2-4,7,9,11H2,1H3,(H2,21,27)(H2,23,24,25,26);5-7,9,11,13,21H,2-4,8,10H2,1H3,(H2,20,26)(H2,22,23,24,25);2*4-6,8,10,12,20H,2-3,7,9H2,1H3,(H2,19,25)(H2,21,22,23,24);8*1H2/t2*15-;3*14-;13-;2*12-;;;;;;;;/m10110110......../s1/i;;;;;;;1D3;;;;;;;;.

What are the key properties of 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane?

2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane has a molecular weight of 3437.34 g/mol, XLogP of 18.91, 63 rotatable bonds, 32 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3S)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;2-[[(3R)-3-butoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-ethoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3R)-3-propoxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;4-(cyclopropylamino)-2-[[(3S)-3-(trideuteriomethoxy)-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane is sourced from PubChem (CID 158029788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).