4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten

C67H96N20O15W2-2 — CID 158954364

About 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten

4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten (PubChem CID 158954364) has the molecular formula C67H96N20O15W2-2 and a molecular weight of 1789.31 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten
• PubChem CID: 158954364
• Molecular Formula: C67H96N20O15W2-2
• Molecular Weight: 1789.31 g/mol
• Exact Mass: 1788.64
• IUPAC Name: 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten
• SMILES: CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2.[CH3-].[CH3-].[W].[W]
• InChI: InChI=1S/2C22H31N7O6.C21H28N6O3.2CH3.2W/c2*1-3-5-10-35-22-25-20(23)19(29(31)32)21(26-22)28(15-18(30)34-4-2)14-16-6-7-24-17(13-16)27-8-11-33-12-9-27;1-2-3-8-30-21-24-19(22)17-12-16(28)14-27(20(17)25-21)13-15-4-5-23-18(11-15)26-6-9-29-10-7-26;;;;/h2*6-7,13H,3-5,8-12,14-15H2,1-2H3,(H2,23,25,26);4-5,11H,2-3,6-10,12-14H2,1H3,(H2,22,24,25);2*1H3;;/q;;;2*-1
• InChIKey: VDKCVJQGNSBLLV-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 424.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1789.31
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten?

The IUPAC name of 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten (CID 158954364) is 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten.

What is the SMILES notation for 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten?

The canonical SMILES for 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten is CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2.[CH3-].[CH3-].[W].[W].

What is the InChIKey of 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten?

The InChIKey is VDKCVJQGNSBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H31N7O6.C21H28N6O3.2CH3.2W/c2*1-3-5-10-35-22-25-20(23)19(29(31)32)21(26-22)28(15-18(30)34-4-2)14-16-6-7-24-17(13-16)27-8-11-33-12-9-27;1-2-3-8-30-21-24-19(22)17-12-16(28)14-27(20(17)25-21)13-15-4-5-23-18(11-15)26-6-9-29-10-7-26;;;;/h2*6-7,13H,3-5,8-12,14-15H2,1-2H3,(H2,23,25,26);4-5,11H,2-3,6-10,12-14H2,1H3,(H2,22,24,25);2*1H3;;/q;;;2*-1;;.

What are the key properties of 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten?

4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten has a molecular weight of 1789.31 g/mol, XLogP of 6.39, 31 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);tungsten is sourced from PubChem (CID 158954364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).