(3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione

C34H35N5O6 — CID 164699266

About (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione

(3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione (PubChem CID 164699266) has the molecular formula C34H35N5O6 and a molecular weight of 609.68 g/mol. Its IUPAC name is (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione.

Molecular Properties

• Compound Name: (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione
• PubChem CID: 164699266
• Molecular Formula: C34H35N5O6
• Molecular Weight: 609.68 g/mol
• Exact Mass: 609.26
• IUPAC Name: (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione
• SMILES: COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(c3cc(C)nc(-c4ccccc4O)n3)CC[C@H]1O2
• InChI: InChI=1S/C34H35N5O6/c1-20-8-9-22-15-29(20)44-19-32(41)35-17-23-10-11-24(16-30(23)43-3)45-28-12-13-39(18-26(28)37-34(22)42)31-14-21(2)36-33(38-31)25-6-4-5-7-27(25)40/h4-11,14-16,26,28,40H,12-13,17-19H2,1-3H3,(H,35,41)(H,37,42)/t26-,28+/m0/s1
• InChIKey: OKSWHFNREMGHLC-XTEPFMGCSA-N
• XLogP: 3.94
• TPSA: 135.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.68
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The IUPAC name of (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione (CID 164699266) is (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione.

What is the SMILES notation for (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The canonical SMILES for (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione is COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(c3cc(C)nc(-c4ccccc4O)n3)CC[C@H]1O2.

What is the InChIKey of (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The InChIKey is OKSWHFNREMGHLC-XTEPFMGCSA-N. The full InChI is InChI=1S/C34H35N5O6/c1-20-8-9-22-15-29(20)44-19-32(41)35-17-23-10-11-24(16-30(23)43-3)45-28-12-13-39(18-26(28)37-34(22)42)31-14-21(2)36-33(38-31)25-6-4-5-7-27(25)40/h4-11,14-16,26,28,40H,12-13,17-19H2,1-3H3,(H,35,41)(H,37,42)/t26-,28+/m0/s1.

What are the key properties of (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

(3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione has a molecular weight of 609.68 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,8S)-6-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-22-methoxy-14-methyl-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione is sourced from PubChem (CID 164699266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).