carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten

C98H134N27O30S2W- — CID 159860811

About carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten

carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten (PubChem CID 159860811) has the molecular formula C98H134N27O30S2W- and a molecular weight of 2418.28 g/mol. Its IUPAC name is carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten.

Molecular Properties

• Compound Name: carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten
• PubChem CID: 159860811
• Molecular Formula: C98H134N27O30S2W-
• Molecular Weight: 2418.28 g/mol
• Exact Mass: 2416.87
• IUPAC Name: carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten
• SMILES: CN(c1ncnc2[nH]ccc12)N1CCOC(C(=O)NCC#N)C1.CN(c1ncnc2[nH]ccc12)N1CCOC(C(=O)O)C1.COC(=O)C1CCCCO1.COC(=O)C1CN(C#N)CCO1.COC(=O)C1CN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)CCO1.COC(=O)C1CN(N)CCO1.COC(=O)C1CN(Nc2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)CCO1.COC(=O)C1CNCCO1.O=C(O)C1CCCCO1.[CH3-].[W]
• InChI: InChI=1S/C20H23N5O5S.C19H21N5O5S.C14H17N7O2.C12H15N5O3.C7H10N2O3.C7H12O3.C6H12N2O3.C6H11NO3.C6H10O3.CH3.W/c1-14-4-6-15(7-5-14)31(27,28)25-9-8-16-18(21-13-22-19(16)25)23(2)24-10-11-30-17(12-24)20(26)29-3;1-13-3-5-14(6-4-13)30(26,27)24-8-7-15-17(20-12-21-18(15)24)22-23-9-10-29-16(11-23)19(25)28-2;1-20(13-10-2-4-16-12(10)18-9-19-13)21-6-7-23-11(8-21)14(22)17-5-3-15;1-16(17-4-5-20-9(6-17)12(18)19)11-8-2-3-13-10(8)14-7-15-11;1-11-7(10)6-4-9(5-8)2-3-12-6;1-9-7(8)6-4-2-3-5-10-6;1-10-6(9)5-4-8(7)2-3-11-5;1-9-6(8)5-4-7-2-3-10-5;7-6(8)5-3-1-2-4-9-5;;/h4-9,13,17H,10-12H2,1-3H3;3-8,12,16H,9-11H2,1-2H3,(H,20,21,22);2,4,9,11H,5-8H2,1H3,(H,17,22)(H,16,18,19);2-3,7,9H,4-6H2,1H3,(H,18,19)(H,13,14,15);6H,2-4H2,1H3;6H,2-5H2,1H3;5H,2-4,7H2,1H3;5,7H,2-4H2,1H3;5H,1-4H2,(H,7,8);1H3;/q;;;;;;;;;-1
• InChIKey: OKDXVDIHLNYFFC-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 684.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 52
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2418.28
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten?

The IUPAC name of carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten (CID 159860811) is carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten.

What is the SMILES notation for carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten?

The canonical SMILES for carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten is CN(c1ncnc2[nH]ccc12)N1CCOC(C(=O)NCC#N)C1.CN(c1ncnc2[nH]ccc12)N1CCOC(C(=O)O)C1.COC(=O)C1CCCCO1.COC(=O)C1CN(C#N)CCO1.COC(=O)C1CN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)CCO1.COC(=O)C1CN(N)CCO1.COC(=O)C1CN(Nc2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)CCO1.COC(=O)C1CNCCO1.O=C(O)C1CCCCO1.[CH3-].[W].

What is the InChIKey of carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten?

The InChIKey is OKDXVDIHLNYFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S.C19H21N5O5S.C14H17N7O2.C12H15N5O3.C7H10N2O3.C7H12O3.C6H12N2O3.C6H11NO3.C6H10O3.CH3.W/c1-14-4-6-15(7-5-14)31(27,28)25-9-8-16-18(21-13-22-19(16)25)23(2)24-10-11-30-17(12-24)20(26)29-3;1-13-3-5-14(6-4-13)30(26,27)24-8-7-15-17(20-12-21-18(15)24)22-23-9-10-29-16(11-23)19(25)28-2;1-20(13-10-2-4-16-12(10)18-9-19-13)21-6-7-23-11(8-21)14(22)17-5-3-15;1-16(17-4-5-20-9(6-17)12(18)19)11-8-2-3-13-10(8)14-7-15-11;1-11-7(10)6-4-9(5-8)2-3-12-6;1-9-7(8)6-4-2-3-5-10-6;1-10-6(9)5-4-8(7)2-3-11-5;1-9-6(8)5-4-7-2-3-10-5;7-6(8)5-3-1-2-4-9-5;;/h4-9,13,17H,10-12H2,1-3H3;3-8,12,16H,9-11H2,1-2H3,(H,20,21,22);2,4,9,11H,5-8H2,1H3,(H,17,22)(H,16,18,19);2-3,7,9H,4-6H2,1H3,(H,18,19)(H,13,14,15);6H,2-4H2,1H3;6H,2-5H2,1H3;5H,2-4,7H2,1H3;5,7H,2-4H2,1H3;5H,1-4H2,(H,7,8);1H3;/q;;;;;;;;;-1;.

What are the key properties of carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten?

carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten has a molecular weight of 2418.28 g/mol, XLogP of 1.16, 22 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten is sourced from PubChem (CID 159860811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).