6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione

C26H29Cl3N4O4S — CID 68696637

About 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione

6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione (PubChem CID 68696637) has the molecular formula C26H29Cl3N4O4S and a molecular weight of 599.97 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione.

Molecular Properties

• Compound Name: 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
• PubChem CID: 68696637
• Molecular Formula: C26H29Cl3N4O4S
• Molecular Weight: 599.97 g/mol
• Exact Mass: 598.10
• IUPAC Name: 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
• SMILES: CC(C)NC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C2=CN(C(C)C)C(=O)C(Cc3ccc(Cl)cc3)N2C1=O
• InChI: InChI=1S/C26H29Cl3N4O4S/c1-15(2)30-21-13-32(38(36,37)23-10-9-19(28)12-20(23)29)24-14-31(16(3)4)26(35)22(33(24)25(21)34)11-17-5-7-18(27)8-6-17/h5-10,12,14-16,21-22,30H,11,13H2,1-4H3
• InChIKey: GASBMORMSMHJFM-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.97
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?

The IUPAC name of 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione (CID 68696637) is 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione.

What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?

The canonical SMILES for 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione is CC(C)NC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C2=CN(C(C)C)C(=O)C(Cc3ccc(Cl)cc3)N2C1=O.

What is the InChIKey of 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?

The InChIKey is GASBMORMSMHJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl3N4O4S/c1-15(2)30-21-13-32(38(36,37)23-10-9-19(28)12-20(23)29)24-14-31(16(3)4)26(35)22(33(24)25(21)34)11-17-5-7-18(27)8-6-17/h5-10,12,14-16,21-22,30H,11,13H2,1-4H3.

What are the key properties of 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?

6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione has a molecular weight of 599.97 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-(propan-2-ylamino)-3,6-dihydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione is sourced from PubChem (CID 68696637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).