4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone

C153H150N30O14S3 — CID 158001755

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone (PubChem CID 158001755) has the molecular formula C153H150N30O14S3 and a molecular weight of 2729.28 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone
• PubChem CID: 158001755
• Molecular Formula: C153H150N30O14S3
• Molecular Weight: 2729.28 g/mol
• Exact Mass: 2727.11
• IUPAC Name: 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone
• SMILES: COc1ccc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1.COc1ccc2nc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)sc2c1.COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)c1.Cc1ccc2nc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)sc2c1.Cc1nc(-c2ccc(NC(=O)C(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5c(c4)CCC5)CCOCC3)cc2)cn1
• InChI: InChI=1S/2C28H27N5O3.C25H26N4O2.C24H24N6OS.C24H23N5O3S.C24H23N5O2S/c1-35-26-9-5-21(16-31-26)20-4-8-24(30-15-20)14-25(34)28(10-12-36-13-11-28)23-6-2-19(3-7-23)22-17-32-27(29)33-18-22;1-35-25-12-21(14-30-18-25)20-4-7-24(31-15-20)13-26(34)28(8-10-36-11-9-28)23-5-2-19(3-6-23)22-16-32-27(29)33-17-22;26-24-27-15-20(16-28-24)18-4-7-21(8-5-18)25(10-12-31-13-11-25)23(30)29-22-9-6-17-2-1-3-19(17)14-22;1-14(2)22(17-6-4-16(5-7-17)19-11-27-24(25)28-12-19)23(31)30-21-9-8-18(10-26-21)20-13-32-15(3)29-20;1-31-18-6-7-19-20(12-18)33-23(28-19)29-21(30)24(8-10-32-11-9-24)17-4-2-15(3-5-17)16-13-26-22(25)27-14-16;1-15-2-7-19-20(12-15)32-23(28-19)29-21(30)24(8-10-31-11-9-24)18-5-3-16(4-6-18)17-13-26-22(25)27-14-17/h2-9,15-18H,10-14H2,1H3,(H2,29,32,33);2-7,12,14-18H,8-11,13H2,1H3,(H2,29,32,33);4-9,14-16H,1-3,10-13H2,(H,29,30)(H2,26,27,28);4-14,22H,1-3H3,(H2,25,27,28)(H,26,30,31);2-7,12-14H,8-11H2,1H3,(H2,25,26,27)(H,28,29,30);2-7,12-14H,8-11H2,1H3,(H2,25,26,27)(H,28,29,30)
• InChIKey: FDUVMVGEIZBRCD-UHFFFAOYSA-N
• XLogP: 25.30
• TPSA: 638.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2729.28
LogP ≤ 5	25.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone?

The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone (CID 158001755) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone?

The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone is COc1ccc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)cn1.COc1ccc2nc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)sc2c1.COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)c1.Cc1ccc2nc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)sc2c1.Cc1nc(-c2ccc(NC(=O)C(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5c(c4)CCC5)CCOCC3)cc2)cn1.

What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone?

The InChIKey is FDUVMVGEIZBRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N5O3.C25H26N4O2.C24H24N6OS.C24H23N5O3S.C24H23N5O2S/c1-35-26-9-5-21(16-31-26)20-4-8-24(30-15-20)14-25(34)28(10-12-36-13-11-28)23-6-2-19(3-7-23)22-17-32-27(29)33-18-22;1-35-25-12-21(14-30-18-25)20-4-7-24(31-15-20)13-26(34)28(8-10-36-11-9-28)23-5-2-19(3-6-23)22-16-32-27(29)33-17-22;26-24-27-15-20(16-28-24)18-4-7-21(8-5-18)25(10-12-31-13-11-25)23(30)29-22-9-6-17-2-1-3-19(17)14-22;1-14(2)22(17-6-4-16(5-7-17)19-11-27-24(25)28-12-19)23(31)30-21-9-8-18(10-26-21)20-13-32-15(3)29-20;1-31-18-6-7-19-20(12-18)33-23(28-19)29-21(30)24(8-10-32-11-9-24)17-4-2-15(3-5-17)16-13-26-22(25)27-14-16;1-15-2-7-19-20(12-15)32-23(28-19)29-21(30)24(8-10-31-11-9-24)18-5-3-16(4-6-18)17-13-26-22(25)27-14-17/h2-9,15-18H,10-14H2,1H3,(H2,29,32,33);2-7,12,14-18H,8-11,13H2,1H3,(H2,29,32,33);4-9,14-16H,1-3,10-13H2,(H,29,30)(H2,26,27,28);4-14,22H,1-3H3,(H2,25,27,28)(H,26,30,31);2-7,12-14H,8-11H2,1H3,(H2,25,26,27)(H,28,29,30);2-7,12-14H,8-11H2,1H3,(H2,25,26,27)(H,28,29,30).

What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone?

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone has a molecular weight of 2729.28 g/mol, XLogP of 25.30, 33 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]butanamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158001755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).