(10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione

C30H35N9O4 — CID 155910603

About (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione

(10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione (PubChem CID 155910603) has the molecular formula C30H35N9O4 and a molecular weight of 585.67 g/mol. Its IUPAC name is (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione.

Molecular Properties

• Compound Name: (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione
• PubChem CID: 155910603
• Molecular Formula: C30H35N9O4
• Molecular Weight: 585.67 g/mol
• Exact Mass: 585.28
• IUPAC Name: (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione
• SMILES: COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(c1ccnc(N)n1)CCNC2=O
• InChI: InChI=1S/C30H35N9O4/c1-19(2)26-28-36-27(20-7-5-4-6-8-20)37-39(28)15-16-43-23-17-21(9-10-22(23)42-3)29(41)32-13-14-38(18-25(40)35-26)24-11-12-33-30(31)34-24/h4-12,17,19,26H,13-16,18H2,1-3H3,(H,32,41)(H,35,40)(H2,31,33,34)/t26-/m1/s1
• InChIKey: MJQIMILDYCURKF-AREMUKBSSA-N
• XLogP: 2.47
• TPSA: 162.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.67
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The IUPAC name of (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione (CID 155910603) is (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione.

What is the SMILES notation for (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The canonical SMILES for (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione is COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(c1ccnc(N)n1)CCNC2=O.

What is the InChIKey of (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The InChIKey is MJQIMILDYCURKF-AREMUKBSSA-N. The full InChI is InChI=1S/C30H35N9O4/c1-19(2)26-28-36-27(20-7-5-4-6-8-20)37-39(28)15-16-43-23-17-21(9-10-22(23)42-3)29(41)32-13-14-38(18-25(40)35-26)24-11-12-33-30(31)34-24/h4-12,17,19,26H,13-16,18H2,1-3H3,(H,32,41)(H,35,40)(H2,31,33,34)/t26-/m1/s1.

What are the key properties of (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

(10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione has a molecular weight of 585.67 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-14-(2-aminopyrimidin-4-yl)-22-methoxy-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione is sourced from PubChem (CID 155910603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).