3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile

C26H32N6O4 — CID 162663476

About 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile

3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile (PubChem CID 162663476) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile
• PubChem CID: 162663476
• Molecular Formula: C26H32N6O4
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.25
• IUPAC Name: 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile
• SMILES: Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(CC(=O)N3CCOCC3)CC2)nc2c1COC2
• InChI: InChI=1S/C26H32N6O4/c1-17-11-19(13-27)12-18(2)24(17)36-25-21-15-35-16-22(21)29-26(30-25)28-20-3-5-31(6-4-20)14-23(33)32-7-9-34-10-8-32/h11-12,20H,3-10,14-16H2,1-2H3,(H,28,29,30)
• InChIKey: QQXCUJLIERBRNE-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 112.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile?

The IUPAC name of 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile (CID 162663476) is 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile.

What is the SMILES notation for 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile?

The canonical SMILES for 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile is Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(CC(=O)N3CCOCC3)CC2)nc2c1COC2.

What is the InChIKey of 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile?

The InChIKey is QQXCUJLIERBRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-17-11-19(13-27)12-18(2)24(17)36-25-21-15-35-16-22(21)29-26(30-25)28-20-3-5-31(6-4-20)14-23(33)32-7-9-34-10-8-32/h11-12,20H,3-10,14-16H2,1-2H3,(H,28,29,30).

What are the key properties of 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile?

3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile has a molecular weight of 492.58 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-[[2-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]oxy]benzonitrile is sourced from PubChem (CID 162663476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).