(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione

C24H30Cl2FN11O9Pt — CID 135659054

About (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione

(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 135659054) has the molecular formula C24H30Cl2FN11O9Pt and a molecular weight of 901.55 g/mol. Its IUPAC name is (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione
• PubChem CID: 135659054
• Molecular Formula: C24H30Cl2FN11O9Pt
• Molecular Weight: 901.55 g/mol
• Exact Mass: 900.12
• IUPAC Name: (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione
• SMILES: Cl[Pt+2]Cl.Nc1nc2c(c(=O)[nH]1)N(C=O)C(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2.O=c1[nH]cc(F)c(=O)[nH]1.[NH2-].[NH2-]
• InChI: InChI=1S/C20H23N7O7.C4H3FN2O2.2ClH.2H2N.Pt/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;5-2-1-6-4(9)7-3(2)8;;;;;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);1H,(H2,6,7,8,9);2*1H;2*1H2;/q;;;;2*-1;+4/p-2/t12?,13-;;;;;;/m0....../s1
• InChIKey: CFFKNNVOYKYCFO-ZIGBGYJWSA-L
• XLogP: 1.28
• TPSA: 352.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	901.55
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione?

The IUPAC name of (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione (CID 135659054) is (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione.

What is the SMILES notation for (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione?

The canonical SMILES for (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione is Cl[Pt+2]Cl.Nc1nc2c(c(=O)[nH]1)N(C=O)C(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2.O=c1[nH]cc(F)c(=O)[nH]1.[NH2-].[NH2-].

What is the InChIKey of (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione?

The InChIKey is CFFKNNVOYKYCFO-ZIGBGYJWSA-L. The full InChI is InChI=1S/C20H23N7O7.C4H3FN2O2.2ClH.2H2N.Pt/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;5-2-1-6-4(9)7-3(2)8;;;;;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);1H,(H2,6,7,8,9);2*1H;2*1H2;/q;;;;2*-1;+4/p-2/t12?,13-;;;;;;/m0....../s1.

What are the key properties of (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione?

(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 901.55 g/mol, XLogP of 1.28, 10 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;azanide;dichloroplatinum(2+);5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135659054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).