5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide

C36H58N16O10 — CID 59260636

About 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide

5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide (PubChem CID 59260636) has the molecular formula C36H58N16O10 and a molecular weight of 874.96 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide.

Molecular Properties

• Compound Name: 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide
• PubChem CID: 59260636
• Molecular Formula: C36H58N16O10
• Molecular Weight: 874.96 g/mol
• Exact Mass: 874.45
• IUPAC Name: 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide
• SMILES: CNC(CCCN=C(N)N)C(=O)NCCN(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O
• InChI: InChI=1S/C36H58N16O10/c1-21-15-51(35(61)47-29(21)57)19-27(55)49(17-23(3)53)13-11-43-32(60)25(8-6-10-45-34(39)40)46-26(54)18-50(28(56)20-52-16-22(2)30(58)48-36(52)62)14-12-42-31(59)24(41-4)7-5-9-44-33(37)38/h15-16,24-25,41H,5-14,17-20H2,1-4H3,(H,42,59)(H,43,60)(H,46,54)(H4,37,38,44)(H4,39,40,45)(H,47,57,61)(H,48,58,62)
• InChIKey: ACWJVOGCIXGZAO-UHFFFAOYSA-N
• XLogP: -6.64
• TPSA: 395.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	874.96
LogP ≤ 5	-6.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide?

The IUPAC name of 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide (CID 59260636) is 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide.

What is the SMILES notation for 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide?

The canonical SMILES for 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide is CNC(CCCN=C(N)N)C(=O)NCCN(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O.

What is the InChIKey of 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide?

The InChIKey is ACWJVOGCIXGZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58N16O10/c1-21-15-51(35(61)47-29(21)57)19-27(55)49(17-23(3)53)13-11-43-32(60)25(8-6-10-45-34(39)40)46-26(54)18-50(28(56)20-52-16-22(2)30(58)48-36(52)62)14-12-42-31(59)24(41-4)7-5-9-44-33(37)38/h15-16,24-25,41H,5-14,17-20H2,1-4H3,(H,42,59)(H,43,60)(H,46,54)(H4,37,38,44)(H4,39,40,45)(H,47,57,61)(H,48,58,62).

What are the key properties of 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide?

5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide has a molecular weight of 874.96 g/mol, XLogP of -6.64, 26 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide is sourced from PubChem (CID 59260636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).