carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C54H61F6N6O6Pd- — CID 158164454

About carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 158164454) has the molecular formula C54H61F6N6O6Pd- and a molecular weight of 1110.53 g/mol. Its IUPAC name is carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

• Compound Name: carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
• PubChem CID: 158164454
• Molecular Formula: C54H61F6N6O6Pd-
• Molecular Weight: 1110.53 g/mol
• Exact Mass: 1109.36
• IUPAC Name: carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
• SMILES: CC(C)N1CCn2c(CC3(c4ccc(C(F)(F)F)cc4)CCCC3)nc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CC3(c4ccc(C(F)(F)F)cc4)CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O.[CH3-].[Pd]
• InChI: InChI=1S/C30H32F3N3O3.C23H26F3N3O3.CH3.Pd/c1-20(2)35-16-17-36-24(18-29(14-6-7-15-29)22-10-12-23(13-11-22)30(31,32)33)34-27(37)26(25(36)28(35)38)39-19-21-8-4-3-5-9-21;1-14(2)28-11-12-29-17(27-20(31)19(30)18(29)21(28)32)13-22(9-3-4-10-22)15-5-7-16(8-6-15)23(24,25)26;;/h3-5,8-13,20H,6-7,14-19H2,1-2H3;5-8,14,30H,3-4,9-13H2,1-2H3;1H3;/q;;-1
• InChIKey: LMBRWQQENWNRRP-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 139.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.53
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?

The IUPAC name of carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 158164454) is carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

What is the SMILES notation for carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?

The canonical SMILES for carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)N1CCn2c(CC3(c4ccc(C(F)(F)F)cc4)CCCC3)nc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CC3(c4ccc(C(F)(F)F)cc4)CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O.[CH3-].[Pd].

What is the InChIKey of carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?

The InChIKey is LMBRWQQENWNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O3.C23H26F3N3O3.CH3.Pd/c1-20(2)35-16-17-36-24(18-29(14-6-7-15-29)22-10-12-23(13-11-22)30(31,32)33)34-27(37)26(25(36)28(35)38)39-19-21-8-4-3-5-9-21;1-14(2)28-11-12-29-17(27-20(31)19(30)18(29)21(28)32)13-22(9-3-4-10-22)15-5-7-16(8-6-15)23(24,25)26;;/h3-5,8-13,20H,6-7,14-19H2,1-2H3;5-8,14,30H,3-4,9-13H2,1-2H3;1H3;/q;;-1;.

What are the key properties of carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?

carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 1110.53 g/mol, XLogP of 10.09, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;9-hydroxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione;palladium;9-phenylmethoxy-2-propan-2-yl-6-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 158164454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).