5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile

C42H25BrF9N19O4 — CID 172941824

About 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile

5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile (PubChem CID 172941824) has the molecular formula C42H25BrF9N19O4 and a molecular weight of 1110.68 g/mol. Its IUPAC name is 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile
• PubChem CID: 172941824
• Molecular Formula: C42H25BrF9N19O4
• Molecular Weight: 1110.68 g/mol
• Exact Mass: 1109.14
• IUPAC Name: 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile
• SMILES: N#Cc1ncc(Br)cn1.N#Cc1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1.N/C(=N\O)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1.Nc1ncc(-c2ccc(C(F)(F)F)cn2)o1
• InChI: InChI=1S/C14H10F3N7O2.C14H7F3N6O.C9H6F3N3O.C5H2BrN3/c15-14(16,17)7-1-2-9(19-3-7)10-6-22-13(26-10)23-8-4-20-12(21-5-8)11(18)24-25;15-14(16,17)8-1-2-10(19-4-8)11-7-22-13(24-11)23-9-5-20-12(3-18)21-6-9;10-9(11,12)5-1-2-6(14-3-5)7-4-15-8(13)16-7;6-4-2-8-5(1-7)9-3-4/h1-6,25H,(H2,18,24)(H,22,23);1-2,4-7H,(H,22,23);1-4H,(H2,13,15);2-3H
• InChIKey: HBFGJZNRNIEMMB-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 350.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.68
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile?

The IUPAC name of 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile (CID 172941824) is 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile is N#Cc1ncc(Br)cn1.N#Cc1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1.N/C(=N\O)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1.Nc1ncc(-c2ccc(C(F)(F)F)cn2)o1.

What is the InChIKey of 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile?

The InChIKey is HBFGJZNRNIEMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N7O2.C14H7F3N6O.C9H6F3N3O.C5H2BrN3/c15-14(16,17)7-1-2-9(19-3-7)10-6-22-13(26-10)23-8-4-20-12(21-5-8)11(18)24-25;15-14(16,17)8-1-2-10(19-4-8)11-7-22-13(24-11)23-9-5-20-12(3-18)21-6-9;10-9(11,12)5-1-2-6(14-3-5)7-4-15-8(13)16-7;6-4-2-8-5(1-7)9-3-4/h1-6,25H,(H2,18,24)(H,22,23);1-2,4-7H,(H,22,23);1-4H,(H2,13,15);2-3H.

What are the key properties of 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile?

5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile has a molecular weight of 1110.68 g/mol, XLogP of 8.99, 8 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 172941824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).