4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide

C34H48N6O5 — CID 68888174

About 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide

4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide (PubChem CID 68888174) has the molecular formula C34H48N6O5 and a molecular weight of 620.80 g/mol. Its IUPAC name is 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide.

Molecular Properties

• Compound Name: 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
• PubChem CID: 68888174
• Molecular Formula: C34H48N6O5
• Molecular Weight: 620.80 g/mol
• Exact Mass: 620.37
• IUPAC Name: 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
• SMILES: CC(C)(C)OCC(NC(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ncc2N=C1N)C(=O)N1CCOCC1
• InChI: InChI=1S/C34H48N6O5/c1-34(2,3)44-23-28(32(42)39-16-18-43-19-17-39)37-30(41)15-14-29(24-10-6-4-7-11-24)40-22-25-20-31(36-21-27(25)38-33(40)35)45-26-12-8-5-9-13-26/h5,8-9,12-13,20-21,24,28-29H,4,6-7,10-11,14-19,22-23H2,1-3H3,(H2,35,38)(H,37,41)
• InChIKey: JIBFBTVGGMIEFX-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 131.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.80
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide?

The IUPAC name of 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide (CID 68888174) is 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide.

What is the SMILES notation for 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide?

The canonical SMILES for 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide is CC(C)(C)OCC(NC(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ncc2N=C1N)C(=O)N1CCOCC1.

What is the InChIKey of 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide?

The InChIKey is JIBFBTVGGMIEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N6O5/c1-34(2,3)44-23-28(32(42)39-16-18-43-19-17-39)37-30(41)15-14-29(24-10-6-4-7-11-24)40-22-25-20-31(36-21-27(25)38-33(40)35)45-26-12-8-5-9-13-26/h5,8-9,12-13,20-21,24,28-29H,4,6-7,10-11,14-19,22-23H2,1-3H3,(H2,35,38)(H,37,41).

What are the key properties of 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide?

4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide has a molecular weight of 620.80 g/mol, XLogP of 4.52, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 68888174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).