N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide

C33H50N6O5Si2 — CID 11787198

About N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide

N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide (PubChem CID 11787198) has the molecular formula C33H50N6O5Si2 and a molecular weight of 666.97 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide
• PubChem CID: 11787198
• Molecular Formula: C33H50N6O5Si2
• Molecular Weight: 666.97 g/mol
• Exact Mass: 666.34
• IUPAC Name: N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide
• SMILES: COc1nc(NCCCN2CCN(C)CC2)nc(OC)c1NC(=O)c1ccc(Oc2c(C)cc3c(c2C)[Si](C)(C)CC[Si]3(C)C)o1
• InChI: InChI=1S/C33H50N6O5Si2/c1-22-21-25-29(46(8,9)20-19-45(25,6)7)23(2)28(22)44-26-12-11-24(43-26)30(40)35-27-31(41-4)36-33(37-32(27)42-5)34-13-10-14-39-17-15-38(3)16-18-39/h11-12,21H,10,13-20H2,1-9H3,(H,35,40)(H,34,36,37)
• InChIKey: JOPDPEMEDIMFNM-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 114.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	666.97
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide?

The IUPAC name of N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide (CID 11787198) is N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide.

What is the SMILES notation for N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide?

The canonical SMILES for N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide is COc1nc(NCCCN2CCN(C)CC2)nc(OC)c1NC(=O)c1ccc(Oc2c(C)cc3c(c2C)[Si](C)(C)CC[Si]3(C)C)o1.

What is the InChIKey of N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide?

The InChIKey is JOPDPEMEDIMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N6O5Si2/c1-22-21-25-29(46(8,9)20-19-45(25,6)7)23(2)28(22)44-26-12-11-24(43-26)30(40)35-27-31(41-4)36-33(37-32(27)42-5)34-13-10-14-39-17-15-38(3)16-18-39/h11-12,21H,10,13-20H2,1-9H3,(H,35,40)(H,34,36,37).

What are the key properties of N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide?

N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide has a molecular weight of 666.97 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,6-dimethoxy-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]-5-[(1,1,4,4,5,7-hexamethyl-2,3-dihydro-1,4-benzodisilin-6-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 11787198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).