1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten

C33H38Cl3N12O2W- — CID 167643481

About 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten

1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten (PubChem CID 167643481) has the molecular formula C33H38Cl3N12O2W- and a molecular weight of 924.95 g/mol. Its IUPAC name is 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten.

Molecular Properties

• Compound Name: 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten
• PubChem CID: 167643481
• Molecular Formula: C33H38Cl3N12O2W-
• Molecular Weight: 924.95 g/mol
• Exact Mass: 923.18
• IUPAC Name: 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten
• SMILES: C[C@@H]1COCCN1c1cc(Cl)nc(-n2c(N)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(Cl)nc(Cl)n1.Nc1nc2ccccc2[nH]1.[CH3-].[W]
• InChI: InChI=1S/C16H17ClN6O.C9H11Cl2N3O.C7H7N3.CH3.W/c1-10-9-24-7-6-22(10)14-8-13(17)20-16(21-14)23-12-5-3-2-4-11(12)19-15(23)18;1-6-5-15-3-2-14(6)8-4-7(10)12-9(11)13-8;8-7-9-5-3-1-2-4-6(5)10-7;;/h2-5,8,10H,6-7,9H2,1H3,(H2,18,19);4,6H,2-3,5H2,1H3;1-4H,(H3,8,9,10);1H3;/q;;;-1;/t10-;6-;;;/m11.../s1
• InChIKey: VWUFCECGZOHHIT-FJIYDVDMSA-N
• XLogP: 5.88
• TPSA: 175.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	924.95
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten?

The IUPAC name of 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten (CID 167643481) is 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten.

What is the SMILES notation for 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten?

The canonical SMILES for 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten is C[C@@H]1COCCN1c1cc(Cl)nc(-n2c(N)nc3ccccc32)n1.C[C@@H]1COCCN1c1cc(Cl)nc(Cl)n1.Nc1nc2ccccc2[nH]1.[CH3-].[W].

What is the InChIKey of 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten?

The InChIKey is VWUFCECGZOHHIT-FJIYDVDMSA-N. The full InChI is InChI=1S/C16H17ClN6O.C9H11Cl2N3O.C7H7N3.CH3.W/c1-10-9-24-7-6-22(10)14-8-13(17)20-16(21-14)23-12-5-3-2-4-11(12)19-15(23)18;1-6-5-15-3-2-14(6)8-4-7(10)12-9(11)13-8;8-7-9-5-3-1-2-4-6(5)10-7;;/h2-5,8,10H,6-7,9H2,1H3,(H2,18,19);4,6H,2-3,5H2,1H3;1-4H,(H3,8,9,10);1H3;/q;;;-1;/t10-;6-;;;/m11.../s1.

What are the key properties of 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten?

1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten has a molecular weight of 924.95 g/mol, XLogP of 5.88, 3 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazol-2-amine;carbanide;1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;tungsten is sourced from PubChem (CID 167643481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).